Vitas-M small molecule compound

4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl(4-methyl-1,4-diazepan-1-yl)methanone

Catalog ID
STK476787
SMILES CN1CCCN(CC1)C(=O)c1sc2c(c1)CCCCCC2

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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 C17H26N2OS MW 306.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H26N2OS/c1-18-9-6-10-19(12-11-18)17(20)16-13-14-7-4-2-3-5-8-15(14)21-16/h13H,2-12H2,1H3
InChIKey
ATGOSGRBQSRNSJ-UHFFFAOYSA-N
Synonyms

456789hexahydrocycloocta(b)thiophen2yl(4methyl14diazepan1yl)methanone
CN1CCCN(CC1)C(=O)C2=CC3=C(S2)CCCCCC3
InChI=1SC17H26N2OSc118961019(121118)17(20)16131474235815(14)2116h13H212H21H3
MFCD08070882
ZINC000006698256
ZINC6698256

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Available files

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