Organoheterocyclic compounds

Nicotine Bitartrate Dihydrate, MP Biomedicals™

CAS: 6019-06-3 Molecular Formula: C17H15ClN2O3 Molecular Weight (g/mol): 330.77 MDL Number: MFCD00069368 InChI Key: YGMGVHYZWYRTJJ-ATVHPVEESA-N Synonym: nicotine ditartrate dihydrate, unii-r7m676m8yv, nicotine bitartrate usan, 2r,3r-2,3-dihydroxybutanedioic acid;3-2s-1-methylpyrrolidin-2-yl pyridine;dihydrate, nicotine bitartrate who-dd, nicotine acid tartrate dihydrate, s-3-1-methylpyrrolidin-2-yl pyridine bis 2r,3r-2,3-dihydroxysuccinate dihydrate, 2r,3r-2,3-dihydroxybutanedioic acid; 3-2s-1-methylpyrrolidin-2-yl pyridine; dihydrate, 3-2s-1-methyl-2-pyrrolidinyl pyridine, 2r,3r-2,3-dihydroxybutanedioate 1:2 , dihydrate

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-]

Phenol Red, Indicator, ACROS Organics™

CAS: 143-74-8 Molecular Formula: C19H14O5S Molecular Weight (g/mol): 354.376 MDL Number: MFCD00003552 InChI Key: BELBBZDIHDAJOR-UHFFFAOYSA-N Synonym: Phenolsulfonephthalein PubChem CID: 4766 ChEBI: CHEBI:31991 IUPAC Name: 4-[3-(4-hydroxyphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]phenol SMILES: C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O

Adenine, 99%, Alfa Aesar™

CAS: 73-24-5 Molecular Formula: C5H5N5 Molecular Weight (g/mol): 135.13 MDL Number: MFCD00041790 InChI Key: GFFGJBXGBJISGV-UHFFFAOYSA-N Synonym: adenine, 1h-purin-6-amine, 6-aminopurine, 9h-purin-6-amine, vitamin b4, adenin, adeninimine, leuco-4, 6-amino-1h-purine, 6-amino-3h-purine PubChem CID: 190 ChEBI: CHEBI:16708 IUPAC Name: 7H-purin-6-amine SMILES: C1=NC2=C(N1)C(=NC=N2)N

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

Alfa Aesar™ HEPES, 1.0M buffer soln., pH 7.5

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

Bromocresol Purple, pure, indicator grade, ACROS Organics™

CAS: 115-40-2 Molecular Formula: C21H16Br2O5S Molecular Weight (g/mol): 540.222 InChI Key: ABIUHPWEYMSGSR-UHFFFAOYSA-N Synonym: Bromcresol Purple, BCP, 5', 5''-Dibromo-o-cresolsulfonephthalein PubChem CID: 8273 ChEBI: CHEBI:86154 IUPAC Name: 2-bromo-4-[3-(3-bromo-4-hydroxy-5-methylphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-6-methylphenol SMILES: CC1=C(C(=CC(=C1)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)Br)O)C)Br)O

Cefixime, 98%, ACROS Organics™

CAS: 79350-37-1 Molecular Formula: C16H15N5O7S2 Molecular Weight (g/mol): 453.45 InChI Key: OKBVVJOGVLARMR-QSWIMTSFSA-N Synonym: cefixime, cefixima, cefiximum, cefixim, cefspan, cephoral, cefixoral, cefiximum latin, suprax, necopen PubChem CID: 5362065 ChEBI: CHEBI:472657 IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid SMILES: C=CC1=C(N2C(C(C2=O)NC(=O)C(=NOCC(=O)O)C3=CSC(=N3)N)SC1)C(=O)O

Metanil Yellow (Tech.), 85%, ACROS Organics™

CAS: 587-98-4 Molecular Formula: C18H14N3NaO3S Molecular Weight (g/mol): 375.378 InChI Key: NYGZLYXAPMMJTE-UHFFFAOYSA-M Synonym: Acid Yellow 36, 3-[[4-(Phenylamino)phenyl]azo]benzenesulfonic acid monosodium salt, C.I. 13065, 3-(4-Anilinophenylazo)benzenesulfonic acid sodium salt PubChem CID: 3935589 ChEBI: CHEBI:87235 IUPAC Name: sodium;3-[(4-anilinophenyl)diazenyl]benzenesulfonate SMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)[O-].[Na+]

Alfa Aesar™ Bromocresol Purple

CAS: 115-40-2 Molecular Formula: C21H16Br2O5S Molecular Weight (g/mol): 540.222 MDL Number: MFCD00011681 InChI Key: ABIUHPWEYMSGSR-UHFFFAOYSA-N PubChem CID: 8273 ChEBI: CHEBI:86154 IUPAC Name: 2-bromo-4-[3-(3-bromo-4-hydroxy-5-methylphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-6-methylphenol SMILES: CC1=C(C(=CC(=C1)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)Br)O)C)Br)O

Alfa Aesar™ Phenol Red

CAS: 143-74-8 Molecular Formula: C19H14O5S Molecular Weight (g/mol): 354.376 MDL Number: MFCD00003552 InChI Key: BELBBZDIHDAJOR-UHFFFAOYSA-N Synonym: phenol red, phenolsulfonphthalein, fenolipuna, sulfonphthal, sulphental, sulphonthal, phenolsulphonphthalein, psp indicator, phenolsulfonephthalein, unii-i6g9y0j1oj PubChem CID: 4766 ChEBI: CHEBI:31991 IUPAC Name: 4-[3-(4-hydroxyphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]phenol SMILES: C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O

Alfa Aesar™ Hemin (porcine), 98+%

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]

6-Oxo-1,6-dihydropyridazine-3-carboxylic acid monohydrate, 97%, Maybridge™

CAS: 37972-69-3 Molecular Formula: C5H4N2O3 Molecular Weight (g/mol): 140.098 InChI Key: GIFSROMQVPUQFK-UHFFFAOYSA-N Synonym: 6-hydroxypyridazine-3-carboxylic acid, 6-hydroxy-3-pyridazinecarboxylic acid, 6-oxo-1,6-dihydropyridazine-3-carboxylic acid, 6-oxo-1,6-dihydro-pyridazine-3-carboxylic acid, 3-hydroxypyridazine-6-carboxylic acid, 3-pyridazinecarboxylic acid, 1,6-dihydro-6-oxo, 6-hydroxy-pyridazine-3-carboxylic acid, 6-oxo-1,6-dihydro-3-pyridazinecarboxylic acid, 3-pyridazinecarboxylicacid, 1,6-dihydro-6-oxo, 6-oxohydropyridazine-3-carboxylic acid PubChem CID: 305970 IUPAC Name: 6-oxo-1H-pyridazine-3-carboxylic acid SMILES: C1=CC(=O)NN=C1C(=O)O

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

Glutaric anhydride, 98%, Alfa Aesar™

CAS: 108-55-4 Molecular Formula: C5H6O3 Molecular Weight (g/mol): 114.1 MDL Number: MFCD00006679 InChI Key: VANNPISTIUFMLH-UHFFFAOYSA-N Synonym: glutaric anhydride, dihydro-2h-pyran-2,6 3h-dione, glutaric acid anhydride, pentanedioic anhydride, pyroglutaric acid, 2h-pyran-2,6 3h-dione, dihydro, pentanedioic acid anhydride, anhydrid kyseliny glutarove, unii-63ofi15s80, anhydrid kyseliny glutarove czech PubChem CID: 7940 IUPAC Name: oxane-2,6-dione SMILES: C1CC(=O)OC(=O)C1

Bromocresol purple, MP Biomedicals™

CAS: 115-40-2 Molecular Formula: C21H16Br2O5S Molecular Weight (g/mol): 540.222 InChI Key: ABIUHPWEYMSGSR-UHFFFAOYSA-N Synonym: 5', 5”-dibromo-o-cresolsulfonephthalein PubChem CID: 8273 ChEBI: CHEBI:86154 IUPAC Name: 2-bromo-4-[3-(3-bromo-4-hydroxy-5-methylphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-6-methylphenol SMILES: CC1=C(C(=CC(=C1)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)Br)O)C)Br)O

HEPES, free acid, >98%, MP Biomedicals™

CAS: 7365-45-9 Molecular Formula: C8H18N2O4S Molecular Weight (g/mol): 238.302 MDL Number: MFCD00006158 InChI Key: JKMHFZQWWAIEOD-UHFFFAOYSA-N Synonym: hepes, 2-4-2-hydroxyethyl piperazin-1-yl ethanesulfonic acid, 4-2-hydroxyethyl-1-piperazineethanesulfonic acid, 1-piperazineethanesulfonic acid, 4-2-hydroxyethyl, monosodium salt, hepes, 4-2-hydroxyethyl piperazine-1-ethanesulfonic acid, unii-rww266ye9i, 4-2-hydroxyethyl-1-piperazineethane sulfonic acid, n-2-hydroxyethylpiperazine-n'-ethanesulfonate PubChem CID: 23831 ChEBI: CHEBI:42334 IUPAC Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid SMILES: C1CN(CCN1CCO)CCS(=O)(=O)O

Honeywell Fluka™ Bromocresol Purple Indicator, Reag. Ph. Eur., Honeywell™ Fluka™

CAS: 115-40-2 Molecular Formula: C21H16Br2O5S Molecular Weight (g/mol): 540.222 MDL Number: MFCD00011681 InChI Key: ABIUHPWEYMSGSR-UHFFFAOYSA-N PubChem CID: 8273 ChEBI: CHEBI:86154 IUPAC Name: 2-bromo-4-[3-(3-bromo-4-hydroxy-5-methylphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-6-methylphenol SMILES: CC1=C(C(=CC(=C1)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)Br)O)C)Br)O

Honeywell Fluka™ Phenol Red Indicator, ACS Reagent, Honeywell™ Fluka™

CAS: 143-74-8 Molecular Formula: C19H14O5S Molecular Weight (g/mol): 354.376 MDL Number: MFCD00003552 InChI Key: BELBBZDIHDAJOR-UHFFFAOYSA-N Synonym: Phenolsulfonphthalein PubChem CID: 4766 ChEBI: CHEBI:31991 IUPAC Name: 4-[3-(4-hydroxyphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]phenol SMILES: C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O

Alfa Aesar™ 1,2:3,5-Di-O-isopropylidene-alpha-D-xylofuranose

CAS: 20881-04-3 Molecular Formula: C11H18O5 Molecular Weight (g/mol): 230.26 MDL Number: MFCD00063224 InChI Key: NKZDPBSWYPINNF-BZNPZCIMSA-N Synonym: 1,2:3,5-di-o-isopropylidene-alpha-d-xylofuranose, 1,2:3,5-di-o-isopropylidene-d-xylofuranose, 1,2:3,5-di-o-isopropylidene-a-d-xylofuranose, alpha-d-xylofuranose, 1,2:3,5-bis-o-1-methylethylidene, 1s,2r,6r,8r-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo 6.4.0.0 2 ,? dodecane, xylofuranose, 1,2:3,5-di-o-isopropylidene-, .alpha.-d, .alpha.-d-xylofuranose, 1,2:3,5-bis-o-1-methylethylidene, 1,2,3,5-di-o-isopropylidene-alpha-d-xylofuranose, 1-o,2-o:3-o,5-o-diisopropylidene-alpha-d-xylofuranose, .alpha.-d-xylofuranose, 1,2,3,5-bis-o-1-methylethylidene PubChem CID: 30337 IUPAC Name: (3aR,4aR,8aS,8bR)-2,2,7,7-tetramethyl-4a,5,8a,8b-tetrahydro-3aH-[1,3]dioxolo[3,4]furo[1,3-d][1,3]dioxine SMILES: CC1(OCC2C(O1)C3C(O2)OC(O3)(C)C)C

Alfa Aesar™ 1-Boc-pyrrolidine-3-carboxamide, 96%

CAS: 122684-34-8 Molecular Formula: C10H18N2O3 Molecular Weight (g/mol): 214.265 MDL Number: MFCD04116210 InChI Key: NHDGOVOBEZPXMY-UHFFFAOYSA-N Synonym: 3-aminocarbonyl-1-boc-pyrrolidine, 1-boc-3-carbamoylpyrrolidine, 1-boc-pyrrolidine-3-carboxamide, 3-carbamoyl-pyrrolidine-1-carboxylic acid tert-butyl ester, 1-boc-pyrrolidine-3-carboxyamide, tert-butyl 3-aminocarbonyl pyrrolidine-1-carboxylate, acmc-20a2cc, ksc496a4t, 1-boc-3-pyrrolidinecarboxamide, 1-n-boc-pyrrolidine-3-carboxyamide PubChem CID: 4571096 IUPAC Name: tert-butyl 3-carbamoylpyrrolidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCC(C1)C(=O)N

4-Chloro-5,6,7,8-tetrahydro-1-benzothieno[2,3-d]pyrimidine, 96%, Alfa Aesar™

CAS: 40493-18-3 Molecular Formula: C10H9ClN2S Molecular Weight (g/mol): 224.706 MDL Number: MFCD00463624 InChI Key: PRNJDUCSVXTOTN-UHFFFAOYSA-N Synonym: 4-chloro-5,6,7,8-tetrahydrobenzo 4,5 thieno 2,3-d pyrimidine, 4-chloro-5,6,7,8-tetrahydro 1 benzothieno 2,3-d pyrimidine, 4-chloro-5,6,7,8-tetrahydro-benzo 4,5 thieno 2,3-d pyrimidine, 4-chloro-5h,6h,7h,8h-pyrimido 4,5-b benzothiophene, 1 benzothieno 2,3-d pyrimidine,4-chloro-5,6,7,8-tetrahydro, 4-chloro-5,6,7,8-tetrahydro-1 benzothiolo 2,3-d pyrimidine, 3-chloro-8-thia-4,6-diazatricyclo 7.4.0.0^ 2,7 trideca-1 9 ,2 7 ,3,5-tetraene, 4-chloro-5,6,7,8-tetrahydrobenzo b thiopheno 2,3-d pyrimidine, 3-chloro-8-thia-4,6-diazatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2,4,6-tetraene PubChem CID: 699515 IUPAC Name: 4-chloro-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine SMILES: C1CCC2=C(C1)C3=C(S2)N=CN=C3Cl

Alfa Aesar™ 1-Boc-indole-2-boronic acid, 95%

CAS: 213318-44-6 Molecular Formula: C13H16BNO4 Molecular Weight (g/mol): 261.084 MDL Number: MFCD02093045 InChI Key: SVIBPSNFXYUOFT-UHFFFAOYSA-N Synonym: n-boc-indole-2-boronic acid, 1-boc-indole-2-boronic acid, 1-tert-butoxycarbonyl indole-2-boronic acid, 1-tert-butoxycarbonyl-1h-indol-2-ylboronic acid, 1-tert-butoxycarbonyl-1h-indol-2-yl boronic acid, 1-n-boc-indole-2-boronic acid, 1-tert-butoxycarbonyl-1h-indol-2-yl-2-boronic acid, 1-tert-butoxycarbonyl indol-2-ylboronic acid, 1-boc-2-indoleboronic acid, n-boc-indol-2-yl boronic acid PubChem CID: 2773302 IUPAC Name: [1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid SMILES: B(C1=CC2=CC=CC=C2N1C(=O)OC(C)(C)C)(O)O

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