Vitas-M small molecule compound

N-(4,5-dimethyl-2-nitrophenyl)propanamide

Catalog ID
STL358283
SMILES CCC(=O)Nc1cc(C)c(cc1[N+](=O)[O-])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 C11H14N2O3 MW 222.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H14N2O3/c1-4-11(14)12-9-5-7(2)8(3)6-10(9)13(15)16/h5-6H,4H2,1-3H3,(H,12,14)
InChIKey
GQVYMDHMPOQAAB-UHFFFAOYSA-N
Synonyms

CCC(=O)NC1=C(C=C(C(=C1)C)C)(N+)(=O)(O)
CCC(=O)Nc1cc(C)c(cc1(N+)(=O)(O))C
InChI=1SC11H14N2O3c1411(14)12957(2)8(3)610(9)13(15)16h56H4H213H3(H1214)
MFCD00031135
N(45dimethyl2nitrophenyl)propanamide
ZINC000004794921
ZINC04794921
ZINC4794921

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Available files

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