Vitas-M small molecule compound
4-[(4-{5-[(3-carboxypropanoyl)amino]-1H-benzimidazol-2-yl}phenyl)amino]-4-oxobutanoic acid
Catalog ID
STK013113
SMILES OC(=O)CCC(=O)Nc1ccc(cc1)c1nc2c([nH]1)ccc(c2)NC(=O)CCC(=O)O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H20N4O6 MW 424.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O6/c26-17(7-9-19(28)29)22-13-3-1-12(2-4-13)21-24-15-6-5-14(11-16(15)25-21)23-18(27)8-10-20(30)31/h1-6,11H,7-10H2,(H,22,26)(H,23,27)(H,24,25)(H,28,29)(H,30,31)InChIKey
ZEGTXPHFJGJLJN-UHFFFAOYSA-NSynonyms
3((2(4(3FORMAMIDOPROPANOICACID)PHENYL)1H13BENZODIAZOL5YL)CARBAMOYL)PROPANOICACID
3(N(2(4(3CARBOXYPROPANOYLAMINO)PHENYL)BENZIMIDAZOL5YL)CARBAMOYL)PROPANOICACID
4((4(5((3CARBOXYPROPANOYL)AMINO)1HBENZIMIDAZOL2YL)PHENYL)AMINO)4OXOBUTANOICACID
4(4(6((4HYDROXY4OXOBUTANOYL)AMINO)1HBENZIMIDAZOL2YL)ANILINO)4OXOBUTANOICACID
4(4(6(3carboxypropanoylamino)1Hbenzimidazol2yl)anilino)4oxobutanoicacid
C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)NC(=O)CCC(=O)O)NC(=O)CCC(=O)O
InChI=1SC21H20N4O6c2617(7919(28)29)22133112(2413)2124156514(1116(15)2521)2318(27)81020(30)31h1611H710H2(H2226)(H2327)(H2425)(H2829)(H3031)
MFCD00570675
OC(=O)CCC(=O)Nc1ccc(cc1)c1nc2c((nH)1)ccc(c2)NC(=O)CCC(=O)O
STK013113
ZINC000003186871
ZINC3186871
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