Vitas-M small molecule compound

N-phenylazepane-1-carbothioamide

Catalog ID
STK082966
SMILES S=C(N1CCCCCC1)Nc1ccccc1

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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 C13H18N2S MW 234.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18N2S/c16-13(14-12-8-4-3-5-9-12)15-10-6-1-2-7-11-15/h3-5,8-9H,1-2,6-7,10-11H2,(H,14,16)
InChIKey
ULNNAURUINOGHW-UHFFFAOYSA-N
Synonyms
64919-31-9
64919319
AZAPERHYDROEPINYL(PHENYLAMINO)METHANE1THIONE
AZEPANE1CARBOTHIOICACIDPHENYLAMIDE
C1CCCN(CC1)C(=S)NC2=CC=CC=C2
InChI=1SC13H18N2Sc1613(14128435912)151061271115h3589H12671011H2(H1416)
MFCD00458615
NPHENYL1AZEPANECARBOTHIOAMIDE
NPHENYLAZEPANE1CARBOTHIOAMIDE
S=C(N1CCCCCC1)Nc1ccccc1
STK082966
ZINC000000251337
ZINC00251337
ZINC251337

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Available files

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