Vitas-M small molecule compound

1-(azepan-1-yl)-2-(2,5-dimethylphenoxy)ethanone

Catalog ID
STK413159
SMILES O=C(N1CCCCCC1)COc1cc(C)ccc1C

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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 C16H23NO2 MW 261.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H23NO2/c1-13-7-8-14(2)15(11-13)19-12-16(18)17-9-5-3-4-6-10-17/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKey
SXLKAQCLJOZNTG-UHFFFAOYSA-N
Synonyms

1(AZEPAN1YL)2(25DIMETHYLPHENOXY)ETHAN1ONE
1(azepan1yl)2(25dimethylphenoxy)ethanone
1AZAPERHYDROEPINYL2(25DIMETHYLPHENOXY)ETHAN1ONE
CC1=CC(=C(C=C1)C)OCC(=O)N2CCCCCC2
InChI=1SC16H23NO2c1137814(2)15(1113)191216(18)17953461017h7811H3691012H212H3
MFCD03168433
ZINC000000070627
ZINC00070627
ZINC70627

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Available files

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