Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-N-{2-[(4-methoxyphenyl)amino]-1-(4-methylphenyl)-2-oxoethyl}-N-methylprop-2-enamide
Catalog ID
STK142353
SMILES COc1ccc(cc1)NC(=O)C(N(C(=O)/C=C/c1ccc2c(c1)OCO2)C)c1ccc(cc1)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 C27H26N2O5 MW 458.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O5/c1-18-4-8-20(9-5-18)26(27(31)28-21-10-12-22(32-3)13-11-21)29(2)25(30)15-7-19-6-14-23-24(16-19)34-17-33-23/h4-16,26H,17H2,1-3H3,(H,28,31)/b15-7+InChIKey
QPYAYXPOWSOLPH-VIZOYTHASA-NSynonyms
(2E)3(13BENZODIOXOL5YL)N(2((4METHOXYPHENYL)AMINO)1(4METHYLPHENYL)2OXOETHYL)NMETHYLPROP2ENAMIDE
(E)3(13BENZODIOXOL5YL)N(2(4METHOXYANILINO)1(4METHYLPHENYL)2OXOETHYL)NMETHYLPROP2ENAMIDE
CC1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)OC)N(C)C(=O)C=CC3=CC4=C(C=C3)OCO4
COc1ccc(cc1)NC(=O)C(N(C(=O)C=Cc1ccc2c(c1)OCO2)C)c1ccc(cc1)C
InChI=1SC27H26N2O5c1184820(9518)26(27(31)2821101222(323)131121)29(2)25(30)157196142324(1619)34173323h41626H17H213H3(H2831)b157+
MFCD08674720
ZINC000013880218
ZINC000013880221
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