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Organoheterocyclic compounds

Organic compounds that consist of ring structures, or cyclic compounds that have atoms of at least two different elements as members of its ring(s).
Pyrimidines And Derivatives (18)
Imidazopyrimidines (15)
Azolines (9)
Pyridines and derivatives (8)
Quinolines and derivatives (7)
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Pyridazines and derivatives (6)
Tetrahydroisoquinolines (6)
Biotin and derivatives (5)
Pyrrolidines (4)
Azoles (4)
Dithiolanes (3)
Lactims (3)
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Tetrapyrroles and derivatives (2)
Indoles and derivatives (1)
Oxacyclic compounds (1)

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1 – 15 of 40 results
1
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N-Vinyl-2-pyrrolidone, 99%, stabilized with NaOH

CAS: 88-12-0 Molecular Formula: C6H9NO Molecular Weight (g/mol): 111.14 MDL Number: MFCD00003197 InChI Key: WHNWPMSKXPGLAX-UHFFFAOYSA-N Synonym: n-vinyl-2-pyrrolidone,n-vinylpyrrolidone,1-vinyl-2-pyrrolidone,1-vinylpyrrolidin-2-one,n-vinyl-2-pyrrolidinone,vinylpyrrolidone,2-pyrrolidinone, 1-ethenyl,1-vinyl-2-pyrrolidinone,n-vinylpyrrolidinone,1-vinylpyrrolidone PubChem CID: 6917 ChEBI: CHEBI:82551 IUPAC Name: 1-ethenylpyrrolidin-2-one SMILES: C=CN1CCCC1=O

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PubChem CID 6917
CAS 88-12-0
Molecular Weight (g/mol) 111.14
ChEBI CHEBI:82551
MDL Number MFCD00003197
SMILES C=CN1CCCC1=O
Synonym n-vinyl-2-pyrrolidone,n-vinylpyrrolidone,1-vinyl-2-pyrrolidone,1-vinylpyrrolidin-2-one,n-vinyl-2-pyrrolidinone,vinylpyrrolidone,2-pyrrolidinone, 1-ethenyl,1-vinyl-2-pyrrolidinone,n-vinylpyrrolidinone,1-vinylpyrrolidone
IUPAC Name 1-ethenylpyrrolidin-2-one
InChI Key WHNWPMSKXPGLAX-UHFFFAOYSA-N
Molecular Formula C6H9NO
2

Uric acid, 99%, Thermo Scientific Chemicals

CAS: 69-93-2 Molecular Formula: C5H4N4O3 Molecular Weight (g/mol): 168.112 MDL Number: MFCD00005712 InChI Key: LEHOTFFKMJEONL-UHFFFAOYSA-N Synonym: uric acid,urate,2,6,8-trioxypurine,lithic acid,2,6,8-trihydroxypurine,2,6,8-trioxopurine,1h-purine-2,6,8-triol,8-hydroxyxanthine,7,9-dihydro-1h-purine-2,6,8 3h-trione,1h-purine-2,6,8 3h-trione, 7,9-dihydro PubChem CID: 1175 ChEBI: CHEBI:17775 IUPAC Name: 7,9-dihydro-3H-purine-2,6,8-trione SMILES: C12=C(NC(=O)N1)NC(=O)NC2=O

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PubChem CID 1175
CAS 69-93-2
Molecular Weight (g/mol) 168.112
ChEBI CHEBI:17775
MDL Number MFCD00005712
SMILES C12=C(NC(=O)N1)NC(=O)NC2=O
Synonym uric acid,urate,2,6,8-trioxypurine,lithic acid,2,6,8-trihydroxypurine,2,6,8-trioxopurine,1h-purine-2,6,8-triol,8-hydroxyxanthine,7,9-dihydro-1h-purine-2,6,8 3h-trione,1h-purine-2,6,8 3h-trione, 7,9-dihydro
IUPAC Name 7,9-dihydro-3H-purine-2,6,8-trione
InChI Key LEHOTFFKMJEONL-UHFFFAOYSA-N
Molecular Formula C5H4N4O3
3

D-(+)-Biotin, 98+%

CAS: 58-85-5 Molecular Formula: C10H16N2O3S Molecular Weight (g/mol): 244.31 MDL Number: MFCD00005541 InChI Key: YBJHBAHKTGYVGT-UHFFFAOYNA-N Synonym: biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin PubChem CID: 171548 ChEBI: CHEBI:15956 IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid SMILES: OC(=O)CCCCC1SCC2NC(=O)NC12

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PubChem CID 171548
CAS 58-85-5
Molecular Weight (g/mol) 244.31
ChEBI CHEBI:15956
MDL Number MFCD00005541
SMILES OC(=O)CCCCC1SCC2NC(=O)NC12
Synonym biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin
IUPAC Name 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
InChI Key YBJHBAHKTGYVGT-UHFFFAOYNA-N
Molecular Formula C10H16N2O3S
4
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Thermo Scientific Chemicals D-Cycloserine, 98%

CAS: 68-41-7 Molecular Formula: C3H6N2O2 Molecular Weight (g/mol): 102.09 MDL Number: MFCD00005353 InChI Key: DYDCUQKUCUHJBH-UWTATZPHSA-N Synonym: d-cycloserine,cycloserine,seromycin,orientomycin,oxamycin,cyclorin,cyclo-d-serine,cicloserina,farmiserina,miroseryn PubChem CID: 6234 ChEBI: CHEBI:40009 IUPAC Name: (4R)-4-amino-1,2-oxazolidin-3-one SMILES: C1C(C(=O)NO1)N

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PubChem CID 6234
CAS 68-41-7
Molecular Weight (g/mol) 102.09
ChEBI CHEBI:40009
MDL Number MFCD00005353
SMILES C1C(C(=O)NO1)N
Synonym d-cycloserine,cycloserine,seromycin,orientomycin,oxamycin,cyclorin,cyclo-d-serine,cicloserina,farmiserina,miroseryn
IUPAC Name (4R)-4-amino-1,2-oxazolidin-3-one
InChI Key DYDCUQKUCUHJBH-UWTATZPHSA-N
Molecular Formula C3H6N2O2
5
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Thermo Scientific Chemicals DL-Thioctic Acid, 98+%

CAS: 1077-28-7 Molecular Formula: C8H14O2S2 Molecular Weight (g/mol): 206.32 MDL Number: MFCD00005474 InChI Key: AGBQKNBQESQNJD-UHFFFAOYNA-N Synonym: dl-thioctic acid,thioctic acid,alpha-lipoic acid,5-1,2-dithiolan-3-yl pentanoic acid,dl-alpha-lipoic acid,1,2-dithiolane-3-pentanoic acid,6,8-thioctic acid,thioctacid,6-thioctic acid,alpha lipoic acid PubChem CID: 864 ChEBI: CHEBI:16494 IUPAC Name: 5-(dithiolan-3-yl)pentanoic acid SMILES: OC(=O)CCCCC1CCSS1

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PubChem CID 864
CAS 1077-28-7
Molecular Weight (g/mol) 206.32
ChEBI CHEBI:16494
MDL Number MFCD00005474
SMILES OC(=O)CCCCC1CCSS1
Synonym dl-thioctic acid,thioctic acid,alpha-lipoic acid,5-1,2-dithiolan-3-yl pentanoic acid,dl-alpha-lipoic acid,1,2-dithiolane-3-pentanoic acid,6,8-thioctic acid,thioctacid,6-thioctic acid,alpha lipoic acid
IUPAC Name 5-(dithiolan-3-yl)pentanoic acid
InChI Key AGBQKNBQESQNJD-UHFFFAOYNA-N
Molecular Formula C8H14O2S2
6

Thermo Scientific Chemicals Uracil, 99+%

CAS: 66-22-8 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.09 MDL Number: MFCD00006016 InChI Key: ISAKRJDGNUQOIC-UHFFFAOYSA-N Synonym: uracil,2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione,2,4-pyrimidinediol,2,4-dioxopyrimidine,pyrimidine-2,4 1h,3h-dione,pirod,2,4-pyrimidinedione,pyrod,hybar x PubChem CID: 1174 ChEBI: CHEBI:17568 IUPAC Name: 1H-pyrimidine-2,4-dione SMILES: O=C1NC=CC(=O)N1

PubChem CID 1174
CAS 66-22-8
Molecular Weight (g/mol) 112.09
ChEBI CHEBI:17568
MDL Number MFCD00006016
SMILES O=C1NC=CC(=O)N1
Synonym uracil,2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione,2,4-pyrimidinediol,2,4-dioxopyrimidine,pyrimidine-2,4 1h,3h-dione,pirod,2,4-pyrimidinedione,pyrod,hybar x
IUPAC Name 1H-pyrimidine-2,4-dione
InChI Key ISAKRJDGNUQOIC-UHFFFAOYSA-N
Molecular Formula C4H4N2O2
8
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Thermo Scientific Chemicals D(+)-Biotin, 98%

CAS: 58-85-5 Molecular Formula: C10H16N2O3S Molecular Weight (g/mol): 244.31 MDL Number: MFCD00005541 InChI Key: YBJHBAHKTGYVGT-UHFFFAOYNA-N Synonym: biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin PubChem CID: 171548 ChEBI: CHEBI:15956 IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid SMILES: OC(=O)CCCCC1SCC2NC(=O)NC12

PubChem CID 171548
CAS 58-85-5
Molecular Weight (g/mol) 244.31
ChEBI CHEBI:15956
MDL Number MFCD00005541
SMILES OC(=O)CCCCC1SCC2NC(=O)NC12
Synonym biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin
IUPAC Name 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
InChI Key YBJHBAHKTGYVGT-UHFFFAOYNA-N
Molecular Formula C10H16N2O3S
9

Thermo Scientific Chemicals Xanthosine dihydrate, 99%

CAS: 5968-90-1 Molecular Formula: C10H12N4O6·2H2O Molecular Weight (g/mol): 320.26 InChI Key: AQQAMLPKPXTPOL-GWTDSMLYSA-N Synonym: xanthosine dihydrate,unii-1u62i480sp,9-2r,3r,4s,5r-3,4-dihydroxy-5-hydroxymethyl tetrahydrofuran-2-yl-9h-purine-2,6-diol dihydrate,xanthosine, dihydrate,xanthosine dihydrate mi,xanthosine,dihydrate,9-beta-d-ribofuranosyl xanthine dihydrate,9-,a-d-ribofuranosylxanthine,xanthosine, dihydrate 8ci,9ci PubChem CID: 91886582 IUPAC Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione;hydrate SMILES: C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O.O

PubChem CID 91886582
CAS 5968-90-1
Molecular Weight (g/mol) 320.26
SMILES C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O.O
Synonym xanthosine dihydrate,unii-1u62i480sp,9-2r,3r,4s,5r-3,4-dihydroxy-5-hydroxymethyl tetrahydrofuran-2-yl-9h-purine-2,6-diol dihydrate,xanthosine, dihydrate,xanthosine dihydrate mi,xanthosine,dihydrate,9-beta-d-ribofuranosyl xanthine dihydrate,9-,a-d-ribofuranosylxanthine,xanthosine, dihydrate 8ci,9ci
IUPAC Name 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione;hydrate
InChI Key AQQAMLPKPXTPOL-GWTDSMLYSA-N
Molecular Formula C10H12N4O6·2H2O
10

(S)-(-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, 97%

CAS: 74163-81-8 Molecular Formula: C10H11NO2 Molecular Weight (g/mol): 177.20 MDL Number: MFCD00144533 InChI Key: BWKMGYQJPOAASG-VIFPVBQESA-N Synonym: l-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,s-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,h-tic-oh,l-porretine,3s-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,s-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid,unii-737g46u1np,s---1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,3s-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid PubChem CID: 2733226 IUPAC Name: (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid SMILES: OC(=O)[C@@H]1CC2=CC=CC=C2CN1

PubChem CID 2733226
CAS 74163-81-8
Molecular Weight (g/mol) 177.20
MDL Number MFCD00144533
SMILES OC(=O)[C@@H]1CC2=CC=CC=C2CN1
Synonym l-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,s-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,h-tic-oh,l-porretine,3s-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,s-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid,unii-737g46u1np,s---1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,3s-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
IUPAC Name (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
InChI Key BWKMGYQJPOAASG-VIFPVBQESA-N
Molecular Formula C10H11NO2
11

Guanosine, 98%

CAS: 118-00-3 Molecular Formula: C10H13N5O5 Molecular Weight (g/mol): 283.24 MDL Number: MFCD00010182 InChI Key: NYHBQMYGNKIUIF-UUOKFMHZSA-N Synonym: guanosine,guanine riboside,vernine,guanozin,guanosin,inosine, 2-amino,usaf cb-11,vernine van,l-guanosine,9-beta-d-ribofuranosylguanine PubChem CID: 6802 ChEBI: CHEBI:16750 SMILES: NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1

PubChem CID 6802
CAS 118-00-3
Molecular Weight (g/mol) 283.24
ChEBI CHEBI:16750
MDL Number MFCD00010182
SMILES NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1
Synonym guanosine,guanine riboside,vernine,guanozin,guanosin,inosine, 2-amino,usaf cb-11,vernine van,l-guanosine,9-beta-d-ribofuranosylguanine
InChI Key NYHBQMYGNKIUIF-UUOKFMHZSA-N
Molecular Formula C10H13N5O5
12

Guanine, 98%

CAS: 73-40-5 Molecular Formula: C5H5N5O Molecular Weight (g/mol): 151.13 MDL Number: MFCD00071533 InChI Key: UYTPUPDQBNUYGX-UHFFFAOYSA-N Synonym: guanine,2-amino-6-hydroxypurine,guanin,2-aminohypoxanthine,mearlmaid,pearl essence,guanine enol,stella polaris,dew pearl,natural pearl essence PubChem CID: 764 ChEBI: CHEBI:16235 SMILES: NC1=NC(=O)C2=C(N1)N=CN2

PubChem CID 764
CAS 73-40-5
Molecular Weight (g/mol) 151.13
ChEBI CHEBI:16235
MDL Number MFCD00071533
SMILES NC1=NC(=O)C2=C(N1)N=CN2
Synonym guanine,2-amino-6-hydroxypurine,guanin,2-aminohypoxanthine,mearlmaid,pearl essence,guanine enol,stella polaris,dew pearl,natural pearl essence
InChI Key UYTPUPDQBNUYGX-UHFFFAOYSA-N
Molecular Formula C5H5N5O
13

(R)-(+)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid

CAS: 103733-65-9 Molecular Formula: C10H11NO2 Molecular Weight (g/mol): 177.20 MDL Number: MFCD00144038 InChI Key: BWKMGYQJPOAASG-UHFFFAOYNA-N Synonym: r-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid,3r-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,h-d-tic-oh,d-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,r-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,r-+-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,3-isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, 3r,3r-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid,3r-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid,r-1,2,3,4-tetrahydro-3-isoquinolinecarboxylicacid PubChem CID: 712398 SMILES: OC(=O)C1CC2=CC=CC=C2CN1

PubChem CID 712398
CAS 103733-65-9
Molecular Weight (g/mol) 177.20
MDL Number MFCD00144038
SMILES OC(=O)C1CC2=CC=CC=C2CN1
Synonym r-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid,3r-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,h-d-tic-oh,d-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,r-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,r-+-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,3-isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, 3r,3r-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid,3r-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid,r-1,2,3,4-tetrahydro-3-isoquinolinecarboxylicacid
InChI Key BWKMGYQJPOAASG-UHFFFAOYNA-N
Molecular Formula C10H11NO2
14

2-Mercaptobenzimidazole, 98%

CAS: 583-39-1 Molecular Formula: C7H6N2S Molecular Weight (g/mol): 150.20 MDL Number: MFCD00466107 InChI Key: YHMYGUUIMTVXNW-UHFFFAOYSA-N Synonym: 2-mercaptobenzimidazole,1h-benzoimidazole-2-thiol,2-benzimidazolethiol,1h-benzimidazole-2-thiol,1h-benzo d imidazole-2-thiol,o-phenylenethiourea,antioxidant mb,mercaptobenzimidazole,2-mercaptobenzoimidazole,antiegene mb PubChem CID: 707035 SMILES: S=C1NC2=CC=CC=C2N1

PubChem CID 707035
CAS 583-39-1
Molecular Weight (g/mol) 150.20
MDL Number MFCD00466107
SMILES S=C1NC2=CC=CC=C2N1
Synonym 2-mercaptobenzimidazole,1h-benzoimidazole-2-thiol,2-benzimidazolethiol,1h-benzimidazole-2-thiol,1h-benzo d imidazole-2-thiol,o-phenylenethiourea,antioxidant mb,mercaptobenzimidazole,2-mercaptobenzoimidazole,antiegene mb
InChI Key YHMYGUUIMTVXNW-UHFFFAOYSA-N
Molecular Formula C7H6N2S
15
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Caffeine, 98.5%, specified according to the req. of USP/BP

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C

PubChem CID 2519
CAS 58-08-2
Molecular Weight (g/mol) 194.19
ChEBI CHEBI:27732
MDL Number MFCD00005758
SMILES CN1C=NC2=C1C(=O)N(C)C(=O)N2C
Synonym caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep
IUPAC Name 1,3,7-trimethylpurine-2,6-dione
InChI Key RYYVLZVUVIJVGH-UHFFFAOYSA-N
Molecular Formula C8H10N4O2