Vitas-M small molecule compound

3-{[2-(4-chlorophenyl)ethyl]amino}-5,5-dimethylcyclohex-2-en-1-one

Catalog ID
STK206693
SMILES O=C1C=C(NCCc2ccc(cc2)Cl)CC(C1)(C)C

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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/c1-16(2)10-14(9-15(19)11-16)18-8-7-12-3-5-13(17)6-4-12/h3-6,9,18H,7-8,10-11H2,1-2H3
InChIKey
RNGIJUGIPPUZRJ-UHFFFAOYSA-N
Synonyms

3((2(4CHLOROPHENYL)ETHYL)AMINO)55DIMETHYLCYCLOHEX2EN1ONE
3((4chlorophenethyl)amino)55dimethylcyclohex2enone
3(2(4CHLOROPHENYL)ETHYLAMINO)55DIMETHYLCYCLOHEX2EN1ONE
3(2(4CHLOROPHENYL)ETHYLAMINO)55DIMETHYLCYCLOHEX2ENONE
CC1(CC(=CC(=O)C1)NCCC2=CC=C(C=C2)Cl)C
InChI=1SC16H20ClNOc116(2)1014(915(19)1116)1887123513(17)6412h36918H781011H212H3
MFCD01854804
ZINC000008556276
ZINC08556276
ZINC8556276

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Available files

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