Vitas-M small molecule compound
2-chloro-5-{5-[(E)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]furan-2-yl}benzoic acid
Catalog ID
STK287171
SMILES N#C/C(=C\c1ccc(o1)c1ccc(c(c1)C(=O)O)Cl)/c1[nH]c2c(n1)cc(c(c2)C)C
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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 C23H16ClN3O3 MW 417.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16ClN3O3/c1-12-7-19-20(8-13(12)2)27-22(26-19)15(11-25)9-16-4-6-21(30-16)14-3-5-18(24)17(10-14)23(28)29/h3-10H,1-2H3,(H,26,27)(H,28,29)/b15-9+InChIKey
LZCISVJRWKPQNT-OQLLNIDSSA-NSynonyms
2chloro5(5((E)2cyano2(56dimethyl1Hbenzimidazol2yl)ethenyl)furan2yl)benzoicacid
CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)O)C#N
InChI=1SC23H16ClN3O3c11271920(813(12)2)2722(2619)15(1125)9164621(3016)143518(24)17(1014)23(28)29h310H12H3(H2627)(H2829)b159+
MFCD06629326
N#CC(=Cc1ccc(o1)c1ccc(c(c1)C(=O)O)Cl)c1(nH)c2c(n1)cc(c(c2)C)C
ZINC000013943469
ZINC13943469
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