Vitas-M small molecule compound
4-{3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
Catalog ID
STK285290
SMILES N#C/C(=C\c1cc(n(c1C)c1ccc(cc1)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 C23H18N4O2 MW 382.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N4O2/c1-14-11-17(15(2)27(14)19-9-7-16(8-10-19)23(28)29)12-18(13-24)22-25-20-5-3-4-6-21(20)26-22/h3-12H,1-2H3,(H,25,26)(H,28,29)/b18-12+InChIKey
SYCDBYHGBCGUJZ-LDADJPATSA-NSynonyms
4(3((E)2(1HBENZIMIDAZOL2YL)2CYANOETHENYL)25DIMETHYL1HPYRROL1YL)BENZOICACID
4(3((E)2(1HBENZIMIDAZOL2YL)2CYANOETHENYL)25DIMETHYLPYRROL1YL)BENZOICACID
CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C=C(C#N)C3=NC4=CC=CC=C4N3
InChI=1SC23H18N4O2c1141117(15(2)27(14)199716(81019)23(28)29)1218(1324)222520534621(20)2622h312H12H3(H2526)(H2829)b1812+
MFCD05993341
N#CC(=Cc1cc(n(c1C)c1ccc(cc1)C(=O)O)C)c1nc2c((nH)1)cccc2
ZINC000005042183
ZINC5042183
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