Vitas-M small molecule compound

5,5-dimethyl-3-[(2-phenylethyl)amino]cyclohex-2-en-1-one

Catalog ID
STK095944
SMILES O=C1C=C(NCCc2ccccc2)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 C16H21NO MW 243.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21NO/c1-16(2)11-14(10-15(18)12-16)17-9-8-13-6-4-3-5-7-13/h3-7,10,17H,8-9,11-12H2,1-2H3
InChIKey
VRAJSRAYCMHUJX-UHFFFAOYSA-N
Synonyms
72012-87-4
1PHENETHYLAMINO55DIMETHYLCYCLOHEXEN3ONE
2CYCLOHEXEN1ONE55DIMETHYL3((2PHENYLETHYL)AMINO)
55DIMETHYL3((2PHENYLETHYL)AMINO)2CYCLOHEXEN1ONE
55DIMETHYL3((2PHENYLETHYL)AMINO)CYCLOHEX2EN1ONE
55dimethyl3(2phenylethylamino)cyclohex2en1one
55DIMETHYL3(PHENETHYLAMINO)CYCLOHEX2EN1ONE
55dimethyl3(phenethylamino)cyclohex2enone
55DIMETHYL3PHENETHYLAMINOCYCLOHEX2ENONE
72012874
BENZENEACETONITRILEA(1(4CHLOROPHENYL)PROPYLIDENE)4(2(DIETHYLAMINO)ETHOXY)
CC1(CC(=CC(=O)C1)NCCC2=CC=CC=C2)C
InChI=1SC16H21NOc116(2)1114(1015(18)1216)1798136435713h371017H891112H212H3
MFCD00156631
O=C1C=C(NCCc2ccccc2)CC(C1)(C)C
STK095944
ZINC000000294529
ZINC00294529
ZINC294529

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Available files

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