Vitas-M small molecule compound
(2E)-3-(4-tert-butylphenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide
Catalog ID
STK010079
SMILES N#C/C(=C\c1ccc(cc1)C(C)(C)C)/C(=O)Nc1ccc(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 C21H22N2O MW 318.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O/c1-15-5-11-19(12-6-15)23-20(24)17(14-22)13-16-7-9-18(10-8-16)21(2,3)4/h5-13H,1-4H3,(H,23,24)/b17-13+InChIKey
XIGGVWQCJRSASC-GHRIWEEISA-NSynonyms
(2E)3(4TERTBUTYLPHENYL)2CYANON(4METHYLPHENYL)PROP2ENAMIDE
(E)3(4TERTBUTYLPHENYL)2CYANON(4METHYLPHENYL)PROP2ENAMIDE
CC1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)C(C)(C)C)C#N
InChI=1SC21H22N2Oc11551119(12615)2320(24)17(1422)13167918(10816)21(23)4h513H14H3(H2324)b1713+
MFCD08049357
N#CC(=Cc1ccc(cc1)C(C)(C)C)C(=O)Nc1ccc(cc1)C
STK010079
ZINC000002777096
ZINC02777096
ZINC2777096
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