Vitas-M small molecule compound
(2Z)-3-{3-chloro-4-[(2-fluorobenzyl)oxy]-5-methoxyphenyl}-2-(5-methoxy-1H-benzimidazol-2-yl)prop-2-enenitrile
Catalog ID
STK201559
SMILES COc1ccc2c(c1)nc([nH]2)/C(=C\c1cc(Cl)c(c(c1)OC)OCc1ccccc1F)/C#N
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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 C25H19ClFN3O3 MW 463.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19ClFN3O3/c1-31-18-7-8-21-22(12-18)30-25(29-21)17(13-28)9-15-10-19(26)24(23(11-15)32-2)33-14-16-5-3-4-6-20(16)27/h3-12H,14H2,1-2H3,(H,29,30)/b17-9-InChIKey
OHHSGSCUPBWHJI-MFOYZWKCSA-NSynonyms
(2Z)3(3CHLORO4((2FLUOROBENZYL)OXY)5METHOXYPHENYL)2(5METHOXY1HBENZIMIDAZOL2YL)PROP2ENENITRILE
(Z)3(3CHLORO4((2FLUOROPHENYL)METHOXY)5METHOXYPHENYL)2(6METHOXY1HBENZIMIDAZOL2YL)PROP2ENENITRILE
COC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C(=C3)Cl)OCC4=CC=CC=C4F)OC)C#N
COc1ccc2c(c1)nc((nH)2)C(=Cc1cc(Cl)c(c(c1)OC)OCc1ccccc1F)C#N
InChI=1SC25H19ClFN3O3c13118782122(1218)3025(2921)17(1328)9151019(26)24(23(1115)322)331416534620(16)27h312H14H212H3(H2930)b179
MFCD06626212
ZINC000009934916
ZINC09934916
ZINC9934916
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