Vitas-M small molecule compound

N-(2-cyano-4,5-diethoxyphenyl)-3-methyl-4-nitrobenzamide

Catalog ID
STK772016
SMILES CCOc1cc(NC(=O)c2ccc(c(c2)C)[N+](=O)[O-])c(cc1OCC)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 C19H19N3O5 MW 369.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O5/c1-4-26-17-9-14(11-20)15(10-18(17)27-5-2)21-19(23)13-6-7-16(22(24)25)12(3)8-13/h6-10H,4-5H2,1-3H3,(H,21,23)
InChIKey
IDCKPNYLJNNUMA-UHFFFAOYSA-N
Synonyms

CCOC1=C(C=C(C(=C1)C#N)NC(=O)C2=CC(=C(C=C2)(N+)(=O)(O))C)OCC
CCOc1cc(NC(=O)c2ccc(c(c2)C)(N+)(=O)(O))c(cc1OCC)C#N
InChI=1SC19H19N3O5c142617914(1120)15(1018(17)2752)2119(23)136716(22(24)25)12(3)813h610H45H213H3(H2123)
MFCD03767969
N(2CYANO45DIETHOXYPHENYL)(3METHYL4NITROPHENYL)CARBOXAMIDE
N(2cyano45diethoxyphenyl)3methyl4nitrobenzamide
ZINC000001075565
ZINC01075565
ZINC1075565

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Available files

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