Vitas-M small molecule compound

azepan-1-yl(3-chloro-4-methylphenyl)methanone

Catalog ID
STK222672
SMILES O=C(c1ccc(c(c1)Cl)C)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 C14H18ClNO MW 251.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18ClNO/c1-11-6-7-12(10-13(11)15)14(17)16-8-4-2-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3
InChIKey
OPBWCAQDWDIUSY-UHFFFAOYSA-N
Synonyms
461436-51-1
461436511
AZEPAN1YL(3CHLORO4METHYLPHENYL)METHANONE
CC1=C(C=C(C=C1)C(=O)N2CCCCCC2)Cl
InChI=1SC14H18ClNOc1116712(1013(11)15)14(17)1684235916h6710H2589H21H3
MFCD03249100
ZINC000000858877
ZINC00858877
ZINC858877

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Available files

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