Vitas-M small molecule compound

N-tert-butyl-3-methyl-4-nitrobenzamide

Catalog ID
STK075787
SMILES O=C(c1ccc(c(c1)C)[N+](=O)[O-])NC(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 C12H16N2O3 MW 236.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N2O3/c1-8-7-9(5-6-10(8)14(16)17)11(15)13-12(2,3)4/h5-7H,1-4H3,(H,13,15)
InChIKey
MGHRNLYCLGVMGJ-UHFFFAOYSA-N
Synonyms
303132-99-2
303132992
CC1=C(C=CC(=C1)C(=O)NC(C)(C)C)(N+)(=O)(O)
InChI=1SC12H16N2O3c1879(5610(8)14(16)17)11(15)1312(23)4h57H14H3(H1315)
MFCD01216579
N(TERTBUTYL)(3METHYL4NITROPHENYL)CARBOXAMIDE
NTERTBUTYL3METHYL4NITROBENZAMIDE
O=C(c1ccc(c(c1)C)(N+)(=O)(O))NC(C)(C)C
STK075787
ZINC000000284807
ZINC00284807
ZINC284807

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Available files

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