Vitas-M small molecule compound

azepan-1-yl(4-chlorophenyl)methanethione

Catalog ID
STK096896
SMILES S=C(c1ccc(cc1)Cl)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 C13H16ClNS MW 253.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16ClNS/c14-12-7-5-11(6-8-12)13(16)15-9-3-1-2-4-10-15/h5-8H,1-4,9-10H2
InChIKey
DEVPEOPUYDLOEF-UHFFFAOYSA-N
Synonyms
364748-65-2
364748652
AZAPERHYDROEPINYL(4CHLOROPHENYL)METHANE1THIONE
AZEPAN1YL(4CHLOROPHENYL)METHANETHIONE
C1CCCN(CC1)C(=S)C2=CC=C(C=C2)Cl
InChI=1SC13H16ClNSc14127511(6812)13(16)15931241015h58H14910H2
MFCD02175348
S=C(c1ccc(cc1)Cl)N1CCCCCC1
STK096896
ZINC000000999737
ZINC00999737
ZINC999737

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Available files

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