Vitas-M small molecule compound
3-{3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2,5-dimethyl-1H-pyrrol-1-yl}-2-methylbenzoic acid
Catalog ID
STK195683
SMILES N#C/C(=C\c1cc(n(c1C)c1cccc(c1C)C(=O)O)C)/c1nc2c([nH]1)cccc2
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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 C24H20N4O2 MW 396.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N4O2/c1-14-11-17(12-18(13-25)23-26-20-8-4-5-9-21(20)27-23)16(3)28(14)22-10-6-7-19(15(22)2)24(29)30/h4-12H,1-3H3,(H,26,27)(H,29,30)/b18-12+InChIKey
DTSRONKEPPZIFD-LDADJPATSA-NSynonyms
593273-57-53(3((E)2(1HBENZIMIDAZOL2YL)2CYANOETHENYL)25DIMETHYL1HPYRROL1YL)2METHYLBENZOICACID
3(3((E)2(1HBENZIMIDAZOL2YL)2CYANOETHENYL)25DIMETHYLPYRROL1YL)2METHYLBENZOICACID
593273575
CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)O)C)C=C(C#N)C3=NC4=CC=CC=C4N3
InChI=1SC24H20N4O2c1141117(1218(1325)232620845921(20)2723)16(3)28(14)22106719(15(22)2)24(29)30h412H13H3(H2627)(H2930)b1812+
MFCD03923310
N#CC(=Cc1cc(n(c1C)c1cccc(c1C)C(=O)O)C)c1nc2c((nH)1)cccc2
ZINC000004705564
ZINC4705564
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