Vitas-M small molecule compound

1-(azepan-1-yl)-2-(2,4-dimethylphenoxy)ethanone

Catalog ID
STK185535
SMILES Cc1ccc(c(c1)C)OCC(=O)N1CCCCCC1

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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/c1-13-7-8-15(14(2)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
IIYZAPNOICCWID-UHFFFAOYSA-N
Synonyms

1((24DIMETHYLPHENOXY)ACETYL)AZEPANE
1(1AZEPANYL)2(24DIMETHYLPHENOXY)ETHANONE
1(AZEPAN1YL)2(24DIMETHYLPHENOXY)ETHAN1ONE
1(AZEPAN1YL)2(24DIMETHYLPHENOXY)ETHANONE
CC1=CC(=C(C=C1)OCC(=O)N2CCCCCC2)C
InChI=1SC16H23NO2c1137815(14(2)1113)191216(18)17953461017h7811H3691012H212H3
MFCD03723420
ZINC000000466986
ZINC00466986
ZINC466986

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Available files

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