Vitas-M small molecule compound

N-(2-methyl-5-nitrophenyl)hexanamide

Catalog ID
STK413646
SMILES [O-][N+](=O)c1cc(NC(=O)CCCCC)c(cc1)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/c1-3-4-5-6-13(16)14-12-9-11(15(17)18)8-7-10(12)2/h7-9H,3-6H2,1-2H3,(H,14,16)
InChIKey
PYQCWWNSEBTMOB-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1cc(NC(=O)CCCCC)c(cc1)C
CCCCCC(=O)NC1=C(C=CC(=C1)(N+)(=O)(O))C
InChI=1SC13H18N2O3c1345613(16)1412911(15(17)18)8710(12)2h79H36H212H3(H1416)
MFCD03366809
N(2methyl5nitrophenyl)hexanamide
ZINC000006040084
ZINC06040084
ZINC6040084

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Available files

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