Vitas-M small molecule compound

(4-chloro-3,5-dinitrophenyl)(2-methylpiperidin-1-yl)methanone

Catalog ID
STK049301
SMILES CC1CCCCN1C(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Cl

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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 C13H14ClN3O5 MW 327.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14ClN3O5/c1-8-4-2-3-5-15(8)13(18)9-6-10(16(19)20)12(14)11(7-9)17(21)22/h6-8H,2-5H2,1H3
InChIKey
MRDWSGBCHVQPFQ-UHFFFAOYSA-N
Synonyms
349427-18-5
(4CHLORO35DINITROPHENYL)(2METHYLPIPERIDIN1YL)METHANONE
349427185
4CHLORO35DINITROPHENYL2METHYLPIPERIDYLKETONE
CC1CCCCN1C(=O)c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))Cl
CC1CCCCN1C(=O)C2=CC(=C(C(=C2)(N+)(=O)(O))Cl)(N+)(=O)(O)
InChI=1SC13H14ClN3O5c18423515(8)13(18)9610(16(19)20)12(14)11(79)17(21)22h68H25H21H3
MFCD02039255
STK049301
ZINC000004508300
ZINC000004508305

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Available files

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