Vitas-M small molecule compound

(2E)-3-(3-chlorophenyl)-1-(2,6-dimethylpiperidin-1-yl)prop-2-en-1-one

Catalog ID
STK439241
SMILES Clc1cccc(c1)/C=C/C(=O)N1C(C)CCCC1C

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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 C16H20ClNO MW 277.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20ClNO/c1-12-5-3-6-13(2)18(12)16(19)10-9-14-7-4-8-15(17)11-14/h4,7-13H,3,5-6H2,1-2H3/b10-9+
InChIKey
JSESHOCXIREMQL-MDZDMXLPSA-N
Synonyms

(2E)1(26DIMETHYLPIPERIDYL)3(3CHLOROPHENYL)PROP2EN1ONE
(2E)3(3chlorophenyl)1(26dimethylpiperidin1yl)prop2en1one
(E)3(3CHLOROPHENYL)1(26DIMETHYLPIPERIDIN1YL)PROP2EN1ONE
CC1CCCC(N1C(=O)C=CC2=CC(=CC=C2)Cl)C
Clc1cccc(c1)C=CC(=O)N1C(C)CCCC1C
InChI=1SC16H20ClNOc11253613(2)18(12)16(19)1091474815(17)1114h4713H356H212H3b109+
MFCD01357782
ZINC000001471484
ZINC000017007893

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Available files

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