Vitas-M small molecule compound

3-methyl-4-nitro-N-(pentan-2-yl)benzamide

Catalog ID
STK056322
SMILES CCCC(NC(=O)c1ccc(c(c1)C)[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 C13H18N2O3 MW 250.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18N2O3/c1-4-5-10(3)14-13(16)11-6-7-12(15(17)18)9(2)8-11/h6-8,10H,4-5H2,1-3H3,(H,14,16)
InChIKey
FYBZFBAWOVXJSJ-UHFFFAOYSA-N
Synonyms
349084-87-3
349084873
3METHYL4NITRON(PENTAN2YL)BENZAMIDE
3METHYL4NITRONPENTAN2YLBENZAMIDE
CCCC(C)NC(=O)C1=CC(=C(C=C1)(N+)(=O)(O))C
CCCC(NC(=O)c1ccc(c(c1)C)(N+)(=O)(O))C
InChI=1SC13H18N2O3c14510(3)1413(16)116712(15(17)18)9(2)811h6810H45H213H3(H1416)
MFCD02006908
N(METHYLBUTYL)(3METHYL4NITROPHENYL)CARBOXAMIDE
STK056322
ZINC000000441695
ZINC000000441696

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Available files

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