Vitas-M small molecule compound

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

Catalog ID
STK060002
SMILES O=C(c1ccc(c(c1)I)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 C14H18INO MW 343.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18INO/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
DNHQFGQZFQPCMA-UHFFFAOYSA-N
Synonyms

1(3IODO4METHYLBENZOYL)AZEPANE
AZAPERHYDROEPINYL3IODO4METHYLPHENYLKETONE
AZEPAN1YL(3IODO4METHYLPHENYL)METHANONE
CC1=C(C=C(C=C1)C(=O)N2CCCCCC2)I
InChI=1SC14H18INOc1116712(1013(11)15)14(17)1684235916h6710H2589H21H3
MFCD03405811
O=C(c1ccc(c(c1)I)C)N1CCCCCC1
STK060002
ZINC000000358790
ZINC00358790
ZINC358790

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Available files

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