Heterocyclic Building Blocks

Thiamine hydrochloride, 98.5-101.5%, ACROS Organics™

CAS: 67-03-8 Molecular Formula: C12H17ClN4OS·HCl Molecular Weight (g/mol): 337.26 MDL Number: MFCD00012780 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Synonym: thiamine hydrochloride, vitamin b1 hydrochloride, thiamine hcl, aneurine hydrochloride, berin, thiamine chloride hydrochloride, trophite, thiamin chloride, thiamine dichloride, thiaminium chloride PubChem CID: 6202 ChEBI: CHEBI:49105 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]

Fluorescein, ACROS Organics™

CAS: 2321-07-5 Molecular Formula: C20H12O5 Molecular Weight (g/mol): 332.31 MDL Number: MFCD00005050 InChI Key: GNBHRKFJIUUOQI-UHFFFAOYSA-N PubChem CID: 16850 ChEBI: CHEBI:31624 IUPAC Name: 3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O

(4S)-(-)-4-Isopropyl-2-oxazolidinone, 98%, ACROS Organics™

CAS: 17016-83-0 Molecular Formula: C6H11NO2 Molecular Weight (g/mol): 129.16 MDL Number: MFCD00010847 InChI Key: YBUPWRYTXGAWJX-RXMQYKEDSA-N Synonym: s-4-isopropyl-2-oxazolidinone, s---4-isopropyl-2-oxazolidinone, 4s---4-isopropyl-2-oxazolidinone, s-4-isopropyloxazolidin-2-one, 4s-4-isopropyl-1,3-oxazolidin-2-one, 2-oxazolidinone, 4-1-methylethyl-, 4s, 4s-4-propan-2-yl-1,3-oxazolidin-2-one, 4s---isopropyl-2-oxazolidinone, 4 s-1-methylethyl-2-oxazolidinone, 4s---4-isopropyl-2-oxazolidinon PubChem CID: 7157133 IUPAC Name: (4S)-4-propan-2-yl-1,3-oxazolidin-2-one SMILES: CC(C)C1COC(=O)N1

HEPES, 99%, for biochemistry, ACROS Organics™

CAS: 7365-45-9 Molecular Formula: C8H18N2O4S Molecular Weight (g/mol): 238.302 MDL Number: MFCD00006158 InChI Key: JKMHFZQWWAIEOD-UHFFFAOYSA-N Synonym: 2-[4-(2-Hydroxyethyl)-1-piperazine]ethanesulfonic acid PubChem CID: 23831 ChEBI: CHEBI:42334 IUPAC Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid SMILES: C1CN(CCN1CCO)CCS(=O)(=O)O

5-(Hydroxymethyl)furfural, 98%, ACROS Organics™

CAS: 67-47-0 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.11 InChI Key: NOEGNKMFWQHSLB-UHFFFAOYSA-N Synonym: 5-hydroxymethylfurfural, 5-hydroxymethyl-2-furaldehyde, 5-hydroxymethyl furfural, 5-hydroxymethyl furan-2-carbaldehyde, hydroxymethylfurfural, 5-hydroxymethyl-2-furfural, 5-oxymethylfurfurole, 5-hydroxymethylfuraldehyde, hydroxymethylfurfurole PubChem CID: 237332 ChEBI: CHEBI:412516 IUPAC Name: 5-(hydroxymethyl)furan-2-carbaldehyde SMILES: C1=C(OC(=C1)C=O)CO

Alfa Aesar™ 5-Amino-2-methoxypyridine, 98%

CAS: 6628-77-9 Molecular Formula: C6H8N2O Molecular Weight (g/mol): 124.143 MDL Number: MFCD00006264 InChI Key: UUVDJIWRSIJEBS-UHFFFAOYSA-N Synonym: 5-amino-2-methoxypyridine, 2-methoxy-5-aminopyridine, 6-methoxy-3-pyridylamine, 3-pyridinamine, 6-methoxy, 2-methoxy-5-amino pyridine, 6-methoxy-pyridin-3-ylamine, pyridine, 5-amino-2-methoxy, 6-methoxy-3-pyridinylamine, 6-methoxy-3-pyridinamine PubChem CID: 81121 IUPAC Name: 6-methoxypyridin-3-amine SMILES: COC1=NC=C(C=C1)N

N-Hydroxysuccinimide, 98+%, ACROS Organics™

CAS: 6066-82-6 Molecular Formula: C4H5NO3 Molecular Weight (g/mol): 115.09 MDL Number: MFCD00005516 InChI Key: NQTADLQHYWFPDB-UHFFFAOYSA-N Synonym: n-hydroxysuccinimide, hosu, 1-hydroxysuccinimide, 2,5-pyrrolidinedione, 1-hydroxy, 1-hydroxy-2,5-pyrrolidinedione, succinimide, n-hydroxy, n-hydroxysuccinimde, n-hydroxysuccinimid, unii-mje3791m4t, ccris 2604 PubChem CID: 80170 IUPAC Name: 1-hydroxypyrrolidine-2,5-dione SMILES: C1CC(=O)N(C1=O)O

Alfa Aesar™ N-(3,5-Dibromo-2-pyridyl)thiourea, 97%

CAS: 31545-35-4 Molecular Formula: C6H5Br2N3S Molecular Weight (g/mol): 310.995 MDL Number: MFCD15525458 InChI Key: XIMYCSKDDBMLSY-UHFFFAOYSA-N Synonym: 1-3,5-dibromopyridin-2-yl thiourea, thiourea, n-3,5-dibromo-2-pyridinyl, n-3,5-dibromo-2-pyridyl thiourea, 3,5-dibromo-pyridin-2-yl-thiourea PubChem CID: 74891931 IUPAC Name: (3,5-dibromopyridin-2-yl)thiourea SMILES: C1=C(C=NC(=C1Br)NC(=S)N)Br

Alfa Aesar™ delta-Hexanolactone, 98%

CAS: 823-22-3 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.144 MDL Number: MFCD00083574 InChI Key: RZTOWFMDBDPERY-UHFFFAOYSA-N Synonym: delta-hexalactone, delta-hexanolactone, delta-caprolactone, 5-methyl-delta-valerolactone, 5-hydroxyhexanoic acid lactone, tetrahydro-6-methyl-2h-pyran-2-one, 2h-pyran-2-one, tetrahydro-6-methyl, .delta.-caprolactone, 6-methylvalerolactone, hexanolactone PubChem CID: 13204 IUPAC Name: 6-methyloxan-2-one SMILES: CC1CCCC(=O)O1

Hemin, 99%, porcine, ACROS Organics™

CAS: 16009-13-5 Molecular Formula: C34H34ClFeN4O4- Molecular Weight (g/mol): 653.965 MDL Number: MFCD00010726 InChI Key: WABFTRRMMIIYHI-UHFFFAOYSA-M Synonym: chlorohemin, hemin chloride, protoferriheme, ferriheme, ferriprotoporphyrin ix chloride, ferriprotoporphyrin ix, panhematin, protohemin, protohemin ix, ferriprotoporphyrin PubChem CID: 131675604 IUPAC Name: 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-23H-porphyrin-21-id-2-yl]propanoic acid;iron;hydrochloride SMILES: CC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C(=C3CCC(=O)O)C)CCC(=O)O.Cl.[Fe]

2-Phenyl-2-imidazoline, 98+%, ACROS Organics™

CAS: 936-49-2 Molecular Formula: C9H10N2 Molecular Weight (g/mol): 146.19 MDL Number: MFCD00005180 InChI Key: BKCCAYLNRIRKDJ-UHFFFAOYSA-N Synonym: 2-phenyl-2-imidazoline, 2-phenylimidazoline, 1h-imidazole, 4,5-dihydro-2-phenyl, 2-imidazoline, 2-phenyl, 4,5-dihydro-2-phenyl-1h-imidazole, 2-phenyl imidazoline, 2-phenyl-2-imidazolin, acmc-209rmt, labotest-bb lt00000058, 5-23-06-00425 beilstein handbook reference PubChem CID: 13639 IUPAC Name: 2-phenyl-4,5-dihydro-1H-imidazole SMILES: C1CN=C(N1)C2=CC=CC=C2

3-Furoic acid, 99%, ACROS Organics™

CAS: 488-93-7 Molecular Formula: C5H4O3 Molecular Weight (g/mol): 112.08 MDL Number: MFCD00005350 InChI Key: IHCCAYCGZOLTEU-UHFFFAOYSA-N Synonym: 3-furoic acid, 3-furancarboxylic acid, 3-carboxyfuran, 3-furanoic acid, unii-88a3s7rg98, 3-furoate, 3-furans, 3-furanoate, pubchem6945, acmc-209kee PubChem CID: 10268 ChEBI: CHEBI:30846 IUPAC Name: furan-3-carboxylic acid SMILES: C1=COC=C1C(=O)O

Alfa Aesar™ 2-Chloro-5-hydroxypyridine, 97%

CAS: 41288-96-4 Molecular Formula: C5H4ClNO Molecular Weight (g/mol): 129.543 MDL Number: MFCD00234050 InChI Key: KVCOOWROABTXDJ-UHFFFAOYSA-N Synonym: 2-chloro-5-hydroxypyridine, 6-chloro-3-pyridinol, 3-pyridinol, 6-chloro, 2-chloro-5-hydroxy pyridine, 2-chloro-5-pyridinol, 2-chloropyridin-5-ol, pubchem2410, zlchem 1336, 6-chloropyridine-3-ol, 6-chloro-pyridin-3-ol PubChem CID: 819821 IUPAC Name: 6-chloropyridin-3-ol SMILES: C1=CC(=NC=C1O)Cl

Alfa Aesar™ 6-Methyl-3-pyridyl trifluoromethanesulfonate, 96%

CAS: 111770-91-3 Molecular Formula: C7H6F3NO3S Molecular Weight (g/mol): 241.184 MDL Number: MFCD06798124 InChI Key: NSSSVJYQTZRVMH-UHFFFAOYSA-N Synonym: 2-methyl-5-pyridyl triflate, trifluoromethanesulfonic acid 2-methylpyridin-5-yl ester, 2-methyl-5-pyridinetrifluoromethanesulfonate, 6-methyl-3-pyridyl trifluoromethanesulfonate, 5-trifluoromethanesulfonyloxy-2-picoline, 2-methyl-5-pyridinetrifluoromethanesulf&, 6-methylpyridin-3-yl trifluoromethansulfonate, 6-methyl-3-pyridinyl trifluoromethanesulfonate, 2-methyl-5-trifluoromethylsulfonyloxy pyridine PubChem CID: 14547281 IUPAC Name: (6-methylpyridin-3-yl) trifluoromethanesulfonate SMILES: CC1=NC=C(C=C1)OS(=O)(=O)C(F)(F)F

Alfa Aesar™ 3-Methyl-5-(3-pyrrolidinyl)-1,2,4-oxadiazole hydrochloride

CAS: 1121057-52-0 Molecular Formula: C7H12ClN3O Molecular Weight (g/mol): 189.643 MDL Number: MFCD11870728 InChI Key: ZNFSKFKUBLQDHA-UHFFFAOYSA-N Synonym: 3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole hydrochloride, 3-methyl-5-3-pyrrolidinyl-1,2,4-oxadiazole hydrochloride, 3-methyl-5-3-pyrrolidinyl-1,2,4-oxadiazole hcl PubChem CID: 53400826 IUPAC Name: 3-methyl-5-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride SMILES: CC1=NOC(=N1)C2CCNC2.Cl

HEPES sodium salt, 99%, ACROS Organics™

CAS: 75277-39-3 Molecular Formula: C8H17N2NaO4S Molecular Weight (g/mol): 260.284 MDL Number: MFCD00036463 InChI Key: RDZTWEVXRGYCFV-UHFFFAOYSA-M Synonym: 2-[4-(2-Hydroxyethyl)-1-piperazine]ethanesulfonic acid sodium salt PubChem CID: 2724248 ChEBI: CHEBI:46758 IUPAC Name: sodium;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate SMILES: C1CN(CCN1CCO)CCS(=O)(=O)[O-].[Na+]

Alfa Aesar™ (S)-(+)-3-Fluoropyrrolidine hydrochloride, 97%

CAS: 136725-53-6 Molecular Formula: C4H9ClFN Molecular Weight (g/mol): 125.571 MDL Number: MFCD04038718 InChI Key: LENYOXXELREKGZ-WCCKRBBISA-N Synonym: s-3-fluoropyrrolidine hydrochloride, s-+-3-fluoropyrrolidine hydrochloride, 3s-3-fluoropyrrolidine hydrochloride, 3s-+-3-fluoropyrrolidine hydrochloride, s-3-fluoro-pyrrolidine hcl, s ;-3-fluoropyrrolidine hydrochloride, 3s-3-fluoropyrrolidine, chloride, s-3-fluoropyrrolidine hcl PubChem CID: 16217739 IUPAC Name: (3S)-3-fluoropyrrolidine;hydrochloride SMILES: C1CNCC1F.Cl

4-Chloro-2-methylthiopyrimidine, 97%, ACROS Organics™

CAS: 49844-90-8 Molecular Formula: C5H5ClN2S Molecular Weight (g/mol): 160.63 InChI Key: DFOHHQRGDOQMKG-UHFFFAOYSA-N Synonym: 4-chloro-2-methylthio pyrimidine, 4-chloro-2-methylthiopyrimidine, 4-chloro-2-methylsulfanyl pyrimidine, 4-chloro-2-methylsulfanyl-pyrimidine, pyrimidine, 4-chloro-2-methylthio, 4-chloro-2-methylmercapto pyrimidine, zlchem 575, pubchem15403, pubchem15764, acmc-1asbn PubChem CID: 97113 IUPAC Name: 4-chloro-2-methylsulfanylpyrimidine SMILES: CSC1=NC=CC(=N1)Cl

Alfa Aesar™ 3,3',4',7-Tetrahydroxyflavone, 96%

CAS: 528-48-3 Molecular Formula: C15H10O6 Molecular Weight (g/mol): 286.239 MDL Number: MFCD00006829 InChI Key: XHEFDIBZLJXQHF-UHFFFAOYSA-N Synonym: fisetin, viset, 5-desoxyquercetin, fustel, 2-3,4-dihydroxyphenyl-3,7-dihydroxy-4h-chromen-4-one, fisetholz, superfustel, cotinin, fietin, fustet PubChem CID: 5281614 ChEBI: CHEBI:42567 IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,7-dihydroxychromen-4-one SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O)O

Alfa Aesar™ Pseudothiohydantoin, 97%

CAS: 556-90-1 Molecular Formula: C3H4N2OS Molecular Weight (g/mol): 116.138 MDL Number: MFCD00003186 InChI Key: HYMJHROUVPWYNQ-UHFFFAOYSA-N Synonym: pseudothiohydantoin, 2-aminothiazol-4 5h-one, 2-imino-4-thiazolidinone, 4 5h-thiazolone, 2-amino, usaf dm-1, 2-imino-4-thiazolidone, 2-amino-2-thiazolin-4-one, usaf be-4-5, 2-amino-4-oxo-thiazole, 2-imino-thiazolidin-4-one PubChem CID: 11175 IUPAC Name: 2-amino-1,3-thiazol-4-one SMILES: C1C(=O)N=C(S1)N

Ethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate, 95%, Alfa Aesar™

CAS: 861208-16-4 Molecular Formula: C10H8BrClN2O2 Molecular Weight (g/mol): 303.54 MDL Number: MFCD06496148 InChI Key: PEINUXVIHDZXNP-UHFFFAOYSA-N Synonym: ethyl 3-bromo-6-chloroimidazo 1,2-a pyridine-2-carboxylate, ethyl 3-bromo-6-chloro-4-hydroimidazo 1,2-a pyridine-2-carboxylate, 3-bromo-6-chloro-imidazo 1,2-a pyridine-2-carboxylic acid ethyl ester hydrobromide PubChem CID: 5260614 IUPAC Name: ethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate SMILES: CCOC(=O)C1=C(N2C=C(C=CC2=N1)Cl)Br

EPPS, 99%, for biochemistry, ACROS Organics™

CAS: 16052-06-5 Molecular Formula: C9H20N2O4S Molecular Weight (g/mol): 252.329 MDL Number: MFCD00006160 InChI Key: OWXMKDGYPWMGEB-UHFFFAOYSA-N Synonym: 3-[4-(2-Hydroxyethyl)-1-piperazine]propanesulfonic acid PubChem CID: 85255 ChEBI: CHEBI:42298 IUPAC Name: 3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid SMILES: C1CN(CCN1CCCS(=O)(=O)O)CCO

Alfa Aesar™ Methyl quinoxaline-6-carboxylate, 98%

CAS: 23088-23-5 Molecular Formula: C10H8N2O2 Molecular Weight (g/mol): 188.186 MDL Number: MFCD00102618 InChI Key: VFPWJISMXACHIG-UHFFFAOYSA-N Synonym: methyl 6-quinoxalinecarboxylate, 6-quinoxalinecarboxylic acid, methyl ester, maybridge1_006081, acmc-1cnh9, methyl6-quinoxalinecarboxylate, methyl quinoxaline-7-carboxylate, 6-quinoxalinecarboxylic acid methyl ester, 6-quinoxalinecarboxylicacid, methyl ester, 6-quinoxalinecarboxylic acid methyl ester; PubChem CID: 2781239 IUPAC Name: methyl quinoxaline-6-carboxylate SMILES: COC(=O)C1=CC2=NC=CN=C2C=C1

5'-Bromospiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one, 99%, Alfa Aesar™

CAS: 75822-54-7 Molecular Formula: C10H8BrNO3 Molecular Weight (g/mol): 270.082 MDL Number: MFCD00097597 InChI Key: GQAJPVMAVMEQQJ-UHFFFAOYSA-N Synonym: 5'-bromospiro 1,3-dioxolane-2,3'-indol-2' 1'h-one, 5'-bromospiro 1,3 dioxolane-2,3'-indolin-2'-one, 5'-bromo-1',2'-dihydrospiro 1,3-dioxolane-2,3'-indole-2'-one, 10-bromospiro 1,3-dioxolane-2,3'-indoline-7-one, 5'-bromospiro 1,3-dioxolane-2,3'-1h-indole-2'-one, maybridge1_007236, chembl6720, 5-bromoisatin 3-ethylene acetal, 5-bromospiro indoline-3,2'-1,3 dioxolane-2-one, 5/'-bromospiro 1,3-dioxolane-2,3/'-1h-indole-2/'-one PubChem CID: 2732922 IUPAC Name: 5'-bromospiro[1,3-dioxolane-2,3'-1H-indole]-2'-one SMILES: C1COC2(O1)C3=C(C=CC(=C3)Br)NC2=O

Alfa Aesar™ 1-Boc-3-hydroxypiperidine, 97%

CAS: 85275-45-2 Molecular Formula: C10H19NO3 Molecular Weight (g/mol): 201.266 MDL Number: MFCD02093938 InChI Key: UIJXHKXIOCDSEB-UHFFFAOYSA-N Synonym: 1-boc-3-hydroxypiperidine, 1-n-boc-3-hydroxy-piperidine, 1-boc-3-hydroxy-piperidine, n-boc-3-piperidinol, n-boc-3-hydroxypiperidine, 1-tert-butoxycarbonyl-3-hydroxy piperidine, boc-3-hydroxypiperidine, n-tert-butoxycarbonyl-3-piperidinol, n-boc-3-hydroxy piperidine, 3-hydroxy-piperidine-1-carboxylic acid tert-butyl ester PubChem CID: 545699 IUPAC Name: tert-butyl 3-hydroxypiperidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCCC(C1)O

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