Vitas-M small molecule compound
4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]benzoic acid
Catalog ID
STK285309
SMILES N#C/C(=C\c1ccc(cc1)C(=O)O)/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 C17H11N3O2 MW 289.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11N3O2/c18-10-13(9-11-5-7-12(8-6-11)17(21)22)16-19-14-3-1-2-4-15(14)20-16/h1-9H,(H,19,20)(H,21,22)/b13-9+InChIKey
CJFLKEBFPOGCOG-UKTHLTGXSA-NSynonyms
303115-88-0(E)4(2(1Hbenzo(d)imidazol2yl)2cyanovinyl)benzoicacid
303115880
4((1E)2BENZIMIDAZOL2YL2CYANOVINYL)BENZOICACID
4((E)2(1HBENZIMIDAZOL2YL)2CYANOETHENYL)BENZOICACID
4(2(1HBENZOIMIDAZOL2YL)2CYANOVINYL)BENZOICACID
C1=CC=C2C(=C1)NC(=N2)C(=CC3=CC=C(C=C3)C(=O)O)C#N
InChI=1SC17H11N3O2c181013(9115712(8611)17(21)22)161914312415(14)2016h19H(H1920)(H2122)b139+
MFCD01943276
N#CC(=Cc1ccc(cc1)C(=O)O)c1nc2c((nH)1)cccc2
ZINC000003946923
ZINC3946923
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