Vitas-M small molecule compound

azocan-1-yl(3,4-dimethylphenyl)methanone

Catalog ID
STK479407
SMILES O=C(c1ccc(c(c1)C)C)N1CCCCCCC1

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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/c1-13-8-9-15(12-14(13)2)16(18)17-10-6-4-3-5-7-11-17/h8-9,12H,3-7,10-11H2,1-2H3
InChIKey
MTHOIVVKZHHYIK-UHFFFAOYSA-N
Synonyms

AZAPERHYDROOCINYL34DIMETHYLPHENYLKETONE
azocan1yl(34dimethylphenyl)methanone
CC1=C(C=C(C=C1)C(=O)N2CCCCCCC2)C
InChI=1SC16H23NOc1138915(1214(13)2)16(18)1710643571117h8912H371011H212H3
MFCD08071709
ZINC000006730450
ZINC06730450
ZINC6730450

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Available files

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