Vitas-M small molecule compound
4-[(E)-2-cyano-2-(5-methyl-1H-benzimidazol-2-yl)ethenyl]-2-methoxyphenyl 2-chloro-4,5-difluorobenzoate
Catalog ID
STK374572
SMILES N#C/C(=C\c1ccc(c(c1)OC)OC(=O)c1cc(F)c(cc1Cl)F)/c1nc2c([nH]1)ccc(c2)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 C25H16ClF2N3O3 MW 479.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16ClF2N3O3/c1-13-3-5-20-21(7-13)31-24(30-20)15(12-29)8-14-4-6-22(23(9-14)33-2)34-25(32)16-10-18(27)19(28)11-17(16)26/h3-11H,1-2H3,(H,30,31)/b15-8+InChIKey
KQTAVPOXBGRIOJ-OVCLIPMQSA-NSynonyms
(4((E)2CYANO2(6METHYL1HBENZIMIDAZOL2YL)ETHENYL)2METHOXYPHENYL)2CHLORO45DIFLUOROBENZOATE
4((E)2cyano2(5methyl1Hbenzimidazol2yl)ethenyl)2methoxyphenyl2chloro45difluorobenzoate
CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C=C3)OC(=O)C4=CC(=C(C=C4Cl)F)F)OC)C#N
InChI=1SC25H16ClF2N3O3c113352021(713)3124(3020)15(1229)8144622(23(914)332)3425(32)161018(27)19(28)1117(16)26h311H12H3(H3031)b158+
MFCD01029689
N#CC(=Cc1ccc(c(c1)OC)OC(=O)c1cc(F)c(cc1Cl)F)c1nc2c((nH)1)ccc(c2)C
ZINC000004066929
ZINC04066929
ZINC4066929
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