Vitas-M small molecule compound

(4-benzylpiperidin-1-yl)(3,5-dinitrophenyl)methanone

Catalog ID
STK002050
SMILES O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])N1CCC(CC1)Cc1ccccc1

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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 C19H19N3O5 MW 369.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O5/c23-19(16-11-17(21(24)25)13-18(12-16)22(26)27)20-8-6-15(7-9-20)10-14-4-2-1-3-5-14/h1-5,11-13,15H,6-10H2
InChIKey
IOKKJPLMNZOZOV-UHFFFAOYSA-N
Synonyms

(4BENZYLPIPERIDIN1YL)(35DINITROPHENYL)METHANONE
C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC19H19N3O5c2319(161117(21(24)25)1318(1216)22(26)27)208615(7920)10144213514h15111315H610H2
MFCD00750854
O=C(c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))N1CCC(CC1)Cc1ccccc1
STK002050
ZINC000003093716
ZINC03093716
ZINC3093716

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Available files

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