Vitas-M small molecule compound

(4-benzylpiperidin-1-yl)(4-chloro-3-nitrophenyl)methanone

Catalog ID
STK080663
SMILES O=C(c1ccc(c(c1)[N+](=O)[O-])Cl)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 C19H19ClN2O3 MW 358.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19ClN2O3/c20-17-7-6-16(13-18(17)22(24)25)19(23)21-10-8-15(9-11-21)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2
InChIKey
KMMICFAFSPSNAI-UHFFFAOYSA-N
Synonyms
331434-31-2
(4BENZYLPIPERIDIN1YL)(4CHLORO3NITROPHENYL)METHANONE
331434312
4BENZYL1(4CHLORO3NITROBENZOYL)PIPERIDINE
4CHLORO3NITROPHENYL4BENZYLPIPERIDYLKETONE
C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O)
InChI=1SC19H19ClN2O3c20177616(1318(17)22(24)25)19(23)2110815(91121)12144213514h171315H812H2
MFCD00750855
O=C(c1ccc(c(c1)(N+)(=O)(O))Cl)N1CCC(CC1)Cc1ccccc1
STK080663
ZINC000000826213
ZINC00826213
ZINC826213

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Available files

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