Vitas-M small molecule compound

azepan-1-yl[2-methoxy-4-(methylsulfanyl)phenyl]methanone

Catalog ID
STK019124
SMILES COc1cc(SC)ccc1C(=O)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 C15H21NO2S MW 279.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H21NO2S/c1-18-14-11-12(19-2)7-8-13(14)15(17)16-9-5-3-4-6-10-16/h7-8,11H,3-6,9-10H2,1-2H3
InChIKey
CCHNNQACJOGRSX-UHFFFAOYSA-N
Synonyms
349429-36-3
349429363
AZAPERHYDROEPINYL2METHOXY4METHYLTHIOPHENYLKETONE
AZEPAN1YL(2METHOXY4(METHYLSULFANYL)PHENYL)METHANONE
AZEPAN1YL(2METHOXY4METHYLSULFANYLPHENYL)METHANONE
COC1=C(C=CC(=C1)SC)C(=O)N2CCCCCC2
COc1cc(SC)ccc1C(=O)N1CCCCCC1
InChI=1SC15H21NO2Sc118141112(192)7813(14)15(17)16953461016h7811H36910H212H3
MFCD02636328
STK019124
ZINC000000227696
ZINC00227696
ZINC227696

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Available files

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