Vitas-M small molecule compound

3-(azepan-1-yl)-1-(4-methylphenyl)propan-1-one

Catalog ID
STK525448
SMILES O=C(c1ccc(cc1)C)CCN1CCCCCC1

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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 C16H23NO MW 245.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H23NO/c1-14-6-8-15(9-7-14)16(18)10-13-17-11-4-2-3-5-12-17/h6-9H,2-5,10-13H2,1H3
InChIKey
NSWKJWZPLZMVEX-UHFFFAOYSA-N
Synonyms

3(azepan1yl)1(4methylphenyl)propan1one
3(azepan1yl)1(ptolyl)propan1onehydrochloride
4METHYLBETA((HEXAHYDRO1HAZEPIN)1YL)PROPIOPHENONE
CC1=CC=C(C=C1)C(=O)CCN2CCCCCC2
InChI=1SC16H23NOc1146815(9714)16(18)1013171142351217h69H251013H21H3
MFCD01002981
O=C(c1ccc(cc1)C)CCN1CCCCCC1Cl
ZINC000000501030
ZINC501030

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Available files

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