Vitas-M small molecule compound

1-(3,4-dihydroisoquinolin-2(1H)-yl)-5-(1,2-dithiolan-3-yl)pentan-1-one

Catalog ID
STL539643
SMILES O=C(N1CCc2c(C1)cccc2)CCCCC1SSCC1

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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 C17H23NOS2 MW 321.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H23NOS2/c19-17(8-4-3-7-16-10-12-20-21-16)18-11-9-14-5-1-2-6-15(14)13-18/h1-2,5-6,16H,3-4,7-13H2
InChIKey
HCSFTUIYXLVWFK-UHFFFAOYSA-N
Synonyms
1401600-62-1
1(34dihydro1~(H)isoquinolin2yl)5(dithiolan3yl)pentan1one
1(34dihydroisoquinolin2(1H)yl)5(12dithiolan3yl)pentan1one
1401600621
71754177
InChI=1SC17H23NOS2c1917(8437161012202116)1811914512615(14)1318h125616H34713H2
MFCD08900036
ZINC000061468222
ZINC000079192188

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Available files

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