Vitas-M small molecule compound

N-(1-methoxypropan-2-yl)-4-methyl-3-nitrobenzamide

Catalog ID
STK047006
SMILES COCC(NC(=O)c1ccc(c(c1)[N+](=O)[O-])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 C12H16N2O4 MW 252.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N2O4/c1-8-4-5-10(6-11(8)14(16)17)12(15)13-9(2)7-18-3/h4-6,9H,7H2,1-3H3,(H,13,15)
InChIKey
VMFYAPIJHGBIKZ-UHFFFAOYSA-N
Synonyms
349616-63-3
349616633
CC1=C(C=C(C=C1)C(=O)NC(C)COC)(N+)(=O)(O)
COCC(NC(=O)c1ccc(c(c1)(N+)(=O)(O))C)C
InChI=1SC12H16N2O4c184510(611(8)14(16)17)12(15)139(2)7183h469H7H213H3(H1315)
MFCD02861745
N(1METHOXYPROPAN2YL)4METHYL3NITROBENZAMIDE
N(2METHOXYISOPROPYL)(4METHYL3NITROPHENYL)CARBOXAMIDE
STK047006
ZINC000000456652
ZINC000000456653

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Available files

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