Vitas-M small molecule compound
(2E)-2-cyano-3-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}-N-(2-methoxy-5-nitrophenyl)prop-2-enamide
Catalog ID
STK025923
SMILES CCOc1cc(ccc1OCc1ccc(cc1)F)/C=C(/C(=O)Nc1cc(ccc1OC)[N+](=O)[O-])\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 C26H22FN3O6 MW 491.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22FN3O6/c1-3-35-25-13-18(6-10-24(25)36-16-17-4-7-20(27)8-5-17)12-19(15-28)26(31)29-22-14-21(30(32)33)9-11-23(22)34-2/h4-14H,3,16H2,1-2H3,(H,29,31)/b19-12+InChIKey
JERWZTTXMOJNBP-XDHOZWIPSA-NSynonyms
364601-33-2(2E)2CYANO3(3ETHOXY4((4FLUOROBENZYL)OXY)PHENYL)N(2METHOXY5NITROPHENYL)PROP2ENAMIDE
(E)2CYANO3(3ETHOXY4((4FLUOROPHENYL)METHOXY)PHENYL)N(2METHOXY5NITROPHENYL)PROP2ENAMIDE
364601332
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C=CC(=C2)(N+)(=O)(O))OC)OCC3=CC=C(C=C3)F
CCOc1cc(ccc1OCc1ccc(cc1)F)C=C(C(=O)Nc1cc(ccc1OC)(N+)(=O)(O))C#N
InChI=1SC26H22FN3O6c1335251318(61024(25)3616174720(27)8517)1219(1528)26(31)29221421(30(32)33)91123(22)342h414H316H212H3(H2931)b1912+
MFCD02373900
STK025923
ZINC000002774365
ZINC02774365
ZINC2774365
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