Vitas-M small molecule compound

1-[4-(azepan-1-yl)-3-fluorophenyl]propan-1-one

Catalog ID
STK762539
SMILES CCC(=O)c1ccc(c(c1)F)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 C15H20FNO MW 249.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H20FNO/c1-2-15(18)12-7-8-14(13(16)11-12)17-9-5-3-4-6-10-17/h7-8,11H,2-6,9-10H2,1H3
InChIKey
FWEPWVLEYFZGBQ-UHFFFAOYSA-N
Synonyms

1(4(azepan1yl)3fluorophenyl)propan1one
1(4AZAPERHYDROEPINYL3FLUOROPHENYL)PROPAN1ONE
1(4AZEPAN1YL3FLUOROPHENYL)PROPAN1ONE
CCC(=O)C1=CC(=C(C=C1)N2CCCCCC2)F
InChI=1SC15H20FNOc1215(18)127814(13(16)1112)17953461017h7811H26910H21H3
MFCD01872113
ZINC000000269015
ZINC00269015
ZINC269015

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Available files

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