Vitas-M small molecule compound
(2E)-2-cyano-3-{3-ethoxy-4-[(4-nitrobenzyl)oxy]-5-(prop-2-en-1-yl)phenyl}-N-(2-fluorophenyl)prop-2-enamide
Catalog ID
STK185283
SMILES CCOc1cc(/C=C(/C(=O)Nc2ccccc2F)\C#N)cc(c1OCc1ccc(cc1)[N+](=O)[O-])CC=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 C28H24FN3O5 MW 501.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24FN3O5/c1-3-7-21-14-20(15-22(17-30)28(33)31-25-9-6-5-8-24(25)29)16-26(36-4-2)27(21)37-18-19-10-12-23(13-11-19)32(34)35/h3,5-6,8-16H,1,4,7,18H2,2H3,(H,31,33)/b22-15+InChIKey
LAOYSDMCIRWIBJ-PXLXIMEGSA-NSynonyms
(2E)2CYANO3(3ETHOXY4((4NITROBENZYL)OXY)5(PROP2EN1YL)PHENYL)N(2FLUOROPHENYL)PROP2ENAMIDE
(E)2CYANO3(3ETHOXY4((4NITROPHENYL)METHOXY)5PROP2ENYLPHENYL)N(2FLUOROPHENYL)PROP2ENAMIDE
CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)(N+)(=O)(O))CC=C)C=C(C#N)C(=O)NC3=CC=CC=C3F
CCOc1cc(C=C(C(=O)Nc2ccccc2F)C#N)cc(c1OCc1ccc(cc1)(N+)(=O)(O))CC=C
InChI=1SC28H24FN3O5c137211420(1522(1730)28(33)3125965824(25)29)1626(3642)27(21)371819101223(131119)32(34)35h356816H14718H22H3(H3133)b2215+
MFCD03729670
ZINC000009259142
ZINC09259142
ZINC9259142
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