Vitas-M small molecule compound
(2E)-3-(2-bromo-4,5-diethoxyphenyl)-2-cyano-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
Catalog ID
STK473186
SMILES CCOc1cc(/C=C(/C(=O)Nc2cccc(c2)C(F)(F)F)\C#N)c(cc1OCC)Br
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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 C21H18BrF3N2O3 MW 483.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrF3N2O3/c1-3-29-18-9-13(17(22)11-19(18)30-4-2)8-14(12-26)20(28)27-16-7-5-6-15(10-16)21(23,24)25/h5-11H,3-4H2,1-2H3,(H,27,28)/b14-8+InChIKey
APQVVVSYHTULMM-RIYZIHGNSA-NSynonyms
(2E)3(2bromo45diethoxyphenyl)2cyanoN(3(trifluoromethyl)phenyl)prop2enamide
(E)3(2bromo45diethoxyphenyl)2cyanoN(3(trifluoromethyl)phenyl)prop2enamide
CCOC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(F)(F)F)Br)OCC
CCOc1cc(C=C(C(=O)Nc2cccc(c2)C(F)(F)F)C#N)c(cc1OCC)Br
InChI=1SC21H18BrF3N2O3c132918913(17(22)1119(18)3042)814(1226)20(28)271675615(1016)21(2324)25h511H34H212H3(H2728)b148+
MFCD07078451
ZINC000020175497
ZINC20175497
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