Vitas-M small molecule compound

(3,5-dinitrophenyl)(3-methylpiperidin-1-yl)methanone

Catalog ID
STK065851
SMILES CC1CCCN(C1)C(=O)c1cc(cc(c1)[N+](=O)[O-])[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 C13H15N3O5 MW 293.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3O5/c1-9-3-2-4-14(8-9)13(17)10-5-11(15(18)19)7-12(6-10)16(20)21/h5-7,9H,2-4,8H2,1H3
InChIKey
ICPUSIPGRUCURI-UHFFFAOYSA-N
Synonyms
331845-89-7
(35DINITROPHENYL)(3METHYLPIPERIDIN1YL)METHANONE
331845897
35DINITROPHENYL3METHYLPIPERIDYLKETONE
CC1CCCN(C1)C(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O)
CC1CCCN(C1)C(=O)C2=CC(=CC(=C2)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC13H15N3O5c1932414(89)13(17)10511(15(18)19)712(610)16(20)21h579H248H21H3
MFCD01212116
STK065851
ZINC000004151014
ZINC000004151016

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Available files

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