Vitas-M small molecule compound

(3-methylpiperidin-1-yl)(4-nitrophenyl)methanone

Catalog ID
STK499489
SMILES CC1CCCN(C1)C(=O)c1ccc(cc1)[N+](=O)[O-]

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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 C13H16N2O3 MW 248.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N2O3/c1-10-3-2-8-14(9-10)13(16)11-4-6-12(7-5-11)15(17)18/h4-7,10H,2-3,8-9H2,1H3
InChIKey
KOGIRDSTNGPWMG-UHFFFAOYSA-N
Synonyms

(3methylpiperidin1yl)(4nitrophenyl)methanone
CC1CCCN(C1)C(=O)c1ccc(cc1)(N+)(=O)(O)
CC1CCCN(C1)C(=O)C2=CC=C(C=C2)(N+)(=O)(O)
InChI=1SC13H16N2O3c11032814(910)13(16)114612(7511)15(17)18h4710H2389H21H3
MFCD01212066
ZINC000005515831
ZINC000005533625

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Available files

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