Vitas-M small molecule compound
(2E)-3-(4-tert-butylphenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
Catalog ID
STK408741
SMILES O=C(Nc1cc(ccc1C)[N+](=O)[O-])/C=C/c1ccc(cc1)C(C)(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 C20H22N2O3 MW 338.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O3/c1-14-5-11-17(22(24)25)13-18(14)21-19(23)12-8-15-6-9-16(10-7-15)20(2,3)4/h5-13H,1-4H3,(H,21,23)/b12-8+InChIKey
DDXJXKZBJGZAPS-XYOKQWHBSA-NSynonyms
431892-04-5(2E)3(4tertbutylphenyl)N(2methyl5nitrophenyl)prop2enamide
(E)3(4TERTBUTYLPHENYL)N(2METHYL5NITROPHENYL)PROP2ENAMIDE
431892045
CC1=C(C=C(C=C1)(N+)(=O)(O))NC(=O)C=CC2=CC=C(C=C2)C(C)(C)C
InChI=1SC20H22N2O3c11451117(22(24)25)1318(14)2119(23)128156916(10715)20(23)4h513H14H3(H2123)b128+
MFCD02174297
O=C(Nc1cc(ccc1C)(N+)(=O)(O))C=Cc1ccc(cc1)C(C)(C)C
ZINC000000314897
ZINC00314897
ZINC314897
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