Vitas-M small molecule compound

6-(4-methoxyphenyl)-5-nitropiperidin-2-one

Catalog ID
STK403544
SMILES COc1ccc(cc1)C1NC(=O)CCC1[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 C12H14N2O4 MW 250.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N2O4/c1-18-9-4-2-8(3-5-9)12-10(14(16)17)6-7-11(15)13-12/h2-5,10,12H,6-7H2,1H3,(H,13,15)
InChIKey
XTYXKLZQDSOFES-UHFFFAOYSA-N
Synonyms
58373-40-3
58373403
5NITRO6(4METHOXYPHENYL)2PIPERIDINONE
6(4methoxyphenyl)5nitropiperidin2one
COC1=CC=C(C=C1)C2C(CCC(=O)N2)(N+)(=O)(O)
COc1ccc(cc1)C1NC(=O)CCC1(N+)(=O)(O)
InChI=1SC12H14N2O4c1189428(359)1210(14(16)17)6711(15)1312h251012H67H21H3(H1315)
MFCD03409170
PIPERIDIN2ONE6(4METHOXYPHENYL)5NITRO
ZINC000000210951
ZINC000000210956

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Available files

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