Pyrrole carboxylic acids and derivatives

Alfa Aesar™ 1-(Phenylsulfonyl)indole-3-carboxylic acid, 97%

CAS: 278593-17-2 Molecular Formula: C15H11NO4S Molecular Weight (g/mol): 301.316 MDL Number: MFCD02682021 InChI Key: ISTBYLZYNVIQFS-UHFFFAOYSA-N Synonym: 1-benzenesulfonyl indole-3-carboxylic acid PubChem CID: 736484 IUPAC Name: 1-(benzenesulfonyl)indole-3-carboxylic acid SMILES: C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C(=O)O

Alfa Aesar™ Indole-3-carboxylic acid, 98%

CAS: 771-50-6 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005624 InChI Key: KMAKOBLIOCQGJP-UHFFFAOYSA-N Synonym: 3-carboxyindole PubChem CID: 69867 ChEBI: CHEBI:24809 IUPAC Name: 1H-indole-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C(=CN2)C(=O)O

Alfa Aesar™ 7-Azaindole-3-carboxylic acid, 95%

CAS: 156270-06-3 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.148 MDL Number: MFCD07778360 InChI Key: KYBIRFFGAIFLPM-UHFFFAOYSA-N Synonym: 1h-pyrrolo 2,3-b pyridine-3-carboxylic acid PubChem CID: 10154191 IUPAC Name: 1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid SMILES: C1=CC2=C(NC=C2C(=O)O)N=C1

1-Methylindole-3-carboxylic acid, 97%, ACROS Organics™

CAS: 32387-21-6 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD01321244 InChI Key: HVRCLXXJIQTXHC-UHFFFAOYSA-N Synonym: 1-methyl-1h-indole-3-carboxylic acid PubChem CID: 854040 IUPAC Name: 1-methylindole-3-carboxylic acid SMILES: CN1C=C(C2=CC=CC=C21)C(=O)O

Atorvastatin Calcium Salt Trihydrate 98.0+%, TCI America™

CAS: 344423-98-9 Molecular Formula: C66H74CaF2N4O13 Molecular Weight (g/mol): 1209.408 MDL Number: MFCD09752074 InChI Key: SHZPNDRIDUBNMH-NIJVSVLQSA-L PubChem CID: 656846 ChEBI: CHEBI:2911 IUPAC Name: calcium;(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate;trihydrate SMILES: CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.O.O.O.[Ca+2]

Atorvastatin Lactone 95.0+%, TCI America™

CAS: 125995-03-1 Molecular Formula: C33H33FN2O4 Molecular Weight (g/mol): 540.635 MDL Number: MFCD00899262 InChI Key: OUCSEDFVYPBLLF-KAYWLYCHSA-N Synonym: 5-(4-Fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl]-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide, Atorvastatin Related Compound H PubChem CID: 6483036 IUPAC Name: 5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide SMILES: CC(C)C1=C(C(=C(N1CCC2CC(CC(=O)O2)O)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5

Sunitinib malate, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 341031-54-7 Molecular Formula: C26H33FN4O7 Molecular Weight (g/mol): 532.569 InChI Key: LBWFXVZLPYTWQI-ZHUJRYRNSA-N Synonym: malic acid; sunitinib PubChem CID: 53386275 IUPAC Name: N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2R)-2-hydroxybutanedioic acid SMILES: CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C.C(C(C(=O)O)O)C(=O)O

5-Formyl-2,4-dimethyl-3-pyrrolecarboxylic Acid 98.0+%, TCI America™

CAS: 253870-02-9 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD06202342 InChI Key: YCIHQDVIAISDPS-UHFFFAOYSA-N Synonym: 1h-pyrrole-3-carboxylic acid, 5-formyl-2,4-dimethyl PubChem CID: 11073792 IUPAC Name: 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid SMILES: CC1=C(NC(=C1C(=O)O)C)C=O

Alfa Aesar™ 5-Formyl-2,4-dimethylpyrrole-3-carboxylic acid, 96%

CAS: 253870-02-9 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD06202342 InChI Key: YCIHQDVIAISDPS-UHFFFAOYSA-N Synonym: 1h-pyrrole-3-carboxylic acid, 5-formyl-2,4-dimethyl PubChem CID: 11073792 IUPAC Name: 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid SMILES: CC1=C(NC(=C1C(=O)O)C)C=O

Alfa Aesar™ 5-Methoxyindole-3-carboxylic acid, 97%

CAS: 10242-01-0 Molecular Formula: C10H9NO3 Molecular Weight (g/mol): 191.186 MDL Number: MFCD03265451 InChI Key: RVVSEZGJCOAUED-UHFFFAOYSA-N Synonym: 1h-indole-3-carboxylic acid, 5-methoxy PubChem CID: 259191 IUPAC Name: 5-methoxy-1H-indole-3-carboxylic acid SMILES: COC1=CC2=C(C=C1)NC=C2C(=O)O

Indole-3-carboxylic acid, 99%, ACROS Organics™

CAS: 771-50-6 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005624 InChI Key: KMAKOBLIOCQGJP-UHFFFAOYSA-N Synonym: 3-carboxyindole PubChem CID: 69867 ChEBI: CHEBI:24809 IUPAC Name: 1H-indole-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C(=CN2)C(=O)O

Alfa Aesar™ 5-Bromoindole-3-carboxylic acid, 97%

CAS: 10406-06-1 Molecular Formula: C9H6BrNO2 Molecular Weight (g/mol): 240.056 MDL Number: MFCD05664007 InChI Key: JVZMBSGNSAHFCY-UHFFFAOYSA-N Synonym: 1h-indole-3-carboxylic acid, 5-bromo PubChem CID: 7018243 IUPAC Name: 5-bromo-1H-indole-3-carboxylic acid SMILES: C1=CC2=C(C=C1Br)C(=CN2)C(=O)O

2,5-Dimethyl-1-(2-thienylmethyl)-1H-pyrrole-3-carboxylic acid, 97%, Maybridge

CAS: 306936-14-1 Molecular Formula: C12H13NO2S Molecular Weight (g/mol): 235.301 MDL Number: MFCD01567217 InChI Key: MYRBXKXOHIDTFU-UHFFFAOYSA-N Synonym: 1h-pyrrole-3-carboxylicacid, 2,5-dimethyl-1-2-thienylmethyl PubChem CID: 2736309 IUPAC Name: 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylic acid SMILES: CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)O

Alfa Aesar™ 2,5-Dimethylpyrrole-3-carboxylic acid, 97%

CAS: 57338-76-8 Molecular Formula: C7H9NO2 Molecular Weight (g/mol): 139.154 MDL Number: MFCD00203874 InChI Key: VDVWTJFVFQVCFN-UHFFFAOYSA-N Synonym: 1h-pyrrole-3-carboxylic acid, 2,5-dimethyl PubChem CID: 292957 IUPAC Name: 2,5-dimethyl-1H-pyrrole-3-carboxylic acid SMILES: CC1=CC(=C(N1)C)C(=O)O

Pyrrole-3-carboxylic acid hydrate, 95%, Acros Organics™

CAS: 336100-46-0 Molecular Formula: C5H5NO2·xH2O Molecular Weight (g/mol): 111.1 InChI Key: CFVUWWPGGBWCTB-UHFFFAOYSA-N Synonym: 1h-pyrrole-3-carboxylic acid hydrate PubChem CID: 45076181 IUPAC Name: 1H-pyrrole-3-carboxylic acid;hydrate SMILES: C1=CNC=C1C(=O)O.O

1-Benzylindole-3-carboxylic acid, 98%, ACROS Organics™

CAS: 27018-76-4 Molecular Formula: C16H13NO2 Molecular Weight (g/mol): 251.28 MDL Number: MFCD00057094 InChI Key: LVYDDRHDOKXFMW-UHFFFAOYSA-N Synonym: 1-benzyl-1h-indole-3-carboxylic acid PubChem CID: 33671 IUPAC Name: 1-benzylindole-3-carboxylic acid SMILES: C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(=O)O

2-Methyl-1,5-diphenyl-1H-pyrrole-3-carboxylic acid, 97%, Maybridge

CAS: 109812-64-8 Molecular Formula: C18H15NO2 Molecular Weight (g/mol): 277.323 MDL Number: MFCD01567220 InChI Key: DWIYTBRYOQDHTE-UHFFFAOYSA-N Synonym: 1,5-diphenyl-2-methylpyrrole-3-carboxylic acid PubChem CID: 2735512 IUPAC Name: 2-methyl-1,5-diphenylpyrrole-3-carboxylic acid SMILES: CC1=C(C=C(N1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

Alfa Aesar™ 1-Benzylindole-3-carboxylic acid, 95%

CAS: 27018-76-4 Molecular Formula: C16H13NO2 Molecular Weight (g/mol): 251.285 MDL Number: MFCD00057094 InChI Key: LVYDDRHDOKXFMW-UHFFFAOYSA-N Synonym: 1-benzyl-1h-indole-3-carboxylic acid PubChem CID: 33671 IUPAC Name: 1-benzylindole-3-carboxylic acid SMILES: C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(=O)O

5-Bromo-1-methyl-1H-indole-3-carboxylic acid, 97%, ACROS Organics™

CAS: 400071-95-6 Molecular Formula: C10H8BrNO2 Molecular Weight (g/mol): 254.08 MDL Number: MFCD14706162 InChI Key: WQZLFFJMRKTCMU-UHFFFAOYSA-N Synonym: 1h-indole-3-carboxylic acid, 5-bromo-1-methyl PubChem CID: 11032413 IUPAC Name: 5-bromo-1-methylindole-3-carboxylic acid SMILES: CN1C=C(C2=C1C=CC(=C2)Br)C(=O)O

1,2,5-Trimethyl-1H-pyrrole-3-carboxylic acid, Technical Grade, Maybridge

CAS: 175276-50-3 Molecular Formula: C8H11NO2 Molecular Weight (g/mol): 153.181 InChI Key: JTEBLTWGSAXWEE-UHFFFAOYSA-N Synonym: 1,2,5-trimethyl-1h-pyrrole-3-carboxylic acid PubChem CID: 736491 IUPAC Name: 1,2,5-trimethylpyrrole-3-carboxylic acid SMILES: CC1=CC(=C(N1C)C)C(=O)O

Alfa Aesar™ Pyrrole-3-carboxylic acid, 98+%

CAS: 931-03-3 Molecular Formula: C5H5NO2 Molecular Weight (g/mol): 111.1 MDL Number: MFCD00800594 InChI Key: DOYOPBSXEIZLRE-UHFFFAOYSA-N Synonym: 1h-pyrrole-3-carboxylicacid PubChem CID: 101030 ChEBI: CHEBI:68076 IUPAC Name: 1H-pyrrole-3-carboxylic acid SMILES: C1=CNC=C1C(=O)O

5-Methoxyindole-3-carboxylic Acid Hydrate 98.0+%, TCI America™

CAS: 10242-01-0 Molecular Formula: C10H9NO3 Molecular Weight (g/mol): 191.186 MDL Number: MFCD03265451 InChI Key: RVVSEZGJCOAUED-UHFFFAOYSA-N Synonym: 1h-indole-3-carboxylic acid, 5-methoxy PubChem CID: 259191 IUPAC Name: 5-methoxy-1H-indole-3-carboxylic acid SMILES: COC1=CC2=C(C=C1)NC=C2C(=O)O

Pyrrole-3-carboxylic Acid 95.0+%, TCI America™

CAS: 931-03-3 Molecular Formula: C5H5NO2 Molecular Weight (g/mol): 111.1 MDL Number: MFCD00800594 InChI Key: DOYOPBSXEIZLRE-UHFFFAOYSA-N Synonym: 1h-pyrrole-3-carboxylicacid PubChem CID: 101030 ChEBI: CHEBI:68076 IUPAC Name: 1H-pyrrole-3-carboxylic acid SMILES: C1=CNC=C1C(=O)O

Atorvastatin Acetonide tert-Butyl Ester 98.0+%, TCI America™

CAS: 125971-95-1 Molecular Formula: C40H47FN2O5 Molecular Weight (g/mol): 654.823 MDL Number: MFCD04039904 InChI Key: NPPZOMYSGNZDKY-ROJLCIKYSA-N Synonym: Atorvastatin Acetonide tert-Butyl Ester PubChem CID: 10168503 IUPAC Name: tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate SMILES: CC(C)C1=C(C(=C(N1CCC2CC(OC(O2)(C)C)CC(=O)OC(C)(C)C)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5

5-Bromoindole-3-carboxylic Acid 98.0+%, TCI America™

CAS: 10406-06-1 Molecular Formula: C9H6BrNO2 Molecular Weight (g/mol): 240.056 MDL Number: MFCD05664007 InChI Key: JVZMBSGNSAHFCY-UHFFFAOYSA-N Synonym: 1h-indole-3-carboxylic acid, 5-bromo PubChem CID: 7018243 IUPAC Name: 5-bromo-1H-indole-3-carboxylic acid SMILES: C1=CC2=C(C=C1Br)C(=CN2)C(=O)O

Indole-3-carboxylic Acid 98.0+%, TCI America™

CAS: 771-50-6 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005624 InChI Key: KMAKOBLIOCQGJP-UHFFFAOYSA-N Synonym: 3-carboxyindole PubChem CID: 69867 ChEBI: CHEBI:24809 IUPAC Name: 1H-indole-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C(=CN2)C(=O)O

PHA 665752, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 477575-56-7 Molecular Formula: C32H34Cl2N4O4S Molecular Weight (g/mol): 641.608 InChI Key: OYONTEXKYJZFHA-SSHUPFPWSA-N Synonym: 0vxu5t5r3j PubChem CID: 10461815 IUPAC Name: (3Z)-5-[(2,6-dichlorophenyl)methylsulfonyl]-3-[[3,5-dimethyl-4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one SMILES: CC1=C(NC(=C1C(=O)N2CCCC2CN3CCCC3)C)C=C4C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O

LB 42708, Tocris Bioscience™ Available on GSA/VA Contract for Federal Government customers only.

CAS: 226929-39-1 Molecular Formula: C30H27BrN4O2 Molecular Weight (g/mol): 555.476 InChI Key: GUUIRIMAQGOLHT-UHFFFAOYSA-N Synonym: 1-1-4-bromobenzyl-1h-imidazol-5-yl methyl-4-naphthalen-1-yl-1h-pyrrol-3-yl morpholino methanone PubChem CID: 10099206 IUPAC Name: [1-[[3-[(4-bromophenyl)methyl]imidazol-4-yl]methyl]-4-naphthalen-1-ylpyrrol-3-yl]-morpholin-4-ylmethanone SMILES: C1COCCN1C(=O)C2=CN(C=C2C3=CC=CC4=CC=CC=C43)CC5=CN=CN5CC6=CC=C(C=C6)Br

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