Vitas-M small molecule compound

1-(azepan-1-yl)-4-phenylbutan-1-one

Catalog ID
STK025181
SMILES O=C(N1CCCCCC1)CCCc1ccccc1

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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/c18-16(17-13-6-1-2-7-14-17)12-8-11-15-9-4-3-5-10-15/h3-5,9-10H,1-2,6-8,11-14H2
InChIKey
WNFSUHOWNHXBCY-UHFFFAOYSA-N
Synonyms
432503-61-2
1(AZEPAN1YL)4PHENYLBUTAN1ONE
1AZAPERHYDROEPINYL4PHENYLBUTAN1ONE
432503612
C1CCCN(CC1)C(=O)CCCC2=CC=CC=C2
InChI=1SC16H23NOc1816(171361271417)128111594351015h35910H12681114H2
MFCD03405654
O=C(N1CCCCCC1)CCCc1ccccc1
STK025181
ZINC000000860382
ZINC00860382
ZINC860382

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Available files

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