Vitas-M small molecule compound

N-butyl-4-methyl-3-nitrobenzamide

Catalog ID
STK051041
SMILES CCCCNC(=O)c1ccc(c(c1)[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 C12H16N2O3 MW 236.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N2O3/c1-3-4-7-13-12(15)10-6-5-9(2)11(8-10)14(16)17/h5-6,8H,3-4,7H2,1-2H3,(H,13,15)
InChIKey
KHOHAKOQEVWJRP-UHFFFAOYSA-N
Synonyms
329940-43-4
329940434
CCCCNC(=O)C1=CC(=C(C=C1)C)(N+)(=O)(O)
CCCCNC(=O)c1ccc(c(c1)(N+)(=O)(O))C
InChI=1SC12H16N2O3c13471312(15)10659(2)11(810)14(16)17h568H347H212H3(H1315)
MFCD00978493
NBUTYL(4METHYL3NITROPHENYL)CARBOXAMIDE
NBUTYL4METHYL3NITROBENZAMIDE
STK051041
ZINC000002875080
ZINC02875080
ZINC2875080

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Available files

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