Vitas-M small molecule compound
2-{4-[(E)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]phenoxy}-N-[4-(trifluoromethoxy)phenyl]acetamide
Catalog ID
STL417660
SMILES N#C/C(=C\c1ccc(cc1)OCC(=O)Nc1ccc(cc1)OC(F)(F)F)/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 C27H21F3N4O3 MW 506.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21F3N4O3/c1-16-11-23-24(12-17(16)2)34-26(33-23)19(14-31)13-18-3-7-21(8-4-18)36-15-25(35)32-20-5-9-22(10-6-20)37-27(28,29)30/h3-13H,15H2,1-2H3,(H,32,35)(H,33,34)/b19-13+InChIKey
DTTKWHOPDGYDTE-CPNJWEJPSA-NSynonyms
2(4((E)2cyano2(56dimethyl1Hbenzimidazol2yl)ethenyl)phenoxy)N(4(trifluoromethoxy)phenyl)acetamide
CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=CC=C(C=C3)OCC(=O)NC4=CC=C(C=C4)OC(F)(F)F)C#N
InChI=1SC27H21F3N4O3c116112324(1217(16)2)3426(3323)19(1431)13183721(8418)361525(35)32205922(10620)3727(2829)30h313H15H212H3(H3235)(H3334)b1913+
MFCD06761327
N#CC(=Cc1ccc(cc1)OCC(=O)Nc1ccc(cc1)OC(F)(F)F)c1(nH)c2c(n1)cc(c(c2)C)C
ZINC000009235698
ZINC09235698
ZINC9235698
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