Vitas-M small molecule compound

N-{(1E)-3-[(4-methylphenyl)amino]-3-oxo-1-phenylprop-1-en-2-yl}-4-(2-methylpropoxy)benzamide

Catalog ID
STK525643
SMILES CC(COc1ccc(cc1)C(=O)N/C(=C/c1ccccc1)/C(=O)Nc1ccc(cc1)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 C27H28N2O3 MW 428.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O3/c1-19(2)18-32-24-15-11-22(12-16-24)26(30)29-25(17-21-7-5-4-6-8-21)27(31)28-23-13-9-20(3)10-14-23/h4-17,19H,18H2,1-3H3,(H,28,31)(H,29,30)/b25-17+
InChIKey
HUPNDBDKAZNNBE-KOEQRZSOSA-N
Synonyms
371227-44-0
(E)4isobutoxyN(3oxo1phenyl3(ptolylamino)prop1en2yl)benzamide
371227440
CC(COc1ccc(cc1)C(=O)NC(=Cc1ccccc1)C(=O)Nc1ccc(cc1)C)C
CC1=CC=C(C=C1)NC(=O)C(=CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)OCC(C)C
InChI=1SC27H28N2O3c119(2)183224151122(121624)26(30)2925(17217546821)27(31)282313920(3)101423h41719H18H213H3(H2831)(H2930)b2517+
MFCD01552195
N((1E)3((4methylphenyl)amino)3oxo1phenylprop1en2yl)4(2methylpropoxy)benzamide
N((E)3(4METHYLANILINO)3OXO1PHENYLPROP1EN2YL)4(2METHYLPROPOXY)BENZAMIDE
ZINC000008926075
ZINC08926075
ZINC8926075

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.