Vitas-M small molecule compound

1-(azepan-1-yl)-2-(phenylsulfanyl)ethanone

Catalog ID
STK049619
SMILES O=C(N1CCCCCC1)CSc1ccccc1

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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 C14H19NOS MW 249.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H19NOS/c16-14(15-10-6-1-2-7-11-15)12-17-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2
InChIKey
JPUNTXMJONPRIQ-UHFFFAOYSA-N
Synonyms
333413-55-1
1(AZEPAN1YL)2(PHENYLSULFANYL)ETHAN1ONE
1(AZEPAN1YL)2(PHENYLSULFANYL)ETHANONE
1(AZEPAN1YL)2PHENYLSULFANYLETHANONE
1AZAPERHYDROEPINYL2PHENYLTHIOETHAN1ONE
1AZEPAN1YL2PHENYLSULFANYLETHANONE
333413551
C1CCCN(CC1)C(=O)CSC2=CC=CC=C2
InChI=1SC14H19NOSc1614(151061271115)1217138435913h3589H12671012H2
MFCD02640097
O=C(N1CCCCCC1)CSc1ccccc1
STK049619
ZINC000002064548
ZINC02064548
ZINC2064548

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Available files

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