Vitas-M small molecule compound
3-[(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)carbonyl]-1H-isothiochromen-1-one
Catalog ID
STL561332
SMILES O=C(c1cc2ccccc2c(=O)s1)N1CCC2(C(C1)CCCC2)O
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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 C19H21NO3S MW 343.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21NO3S/c21-17(16-11-13-5-1-2-7-15(13)18(22)24-16)20-10-9-19(23)8-4-3-6-14(19)12-20/h1-2,5,7,11,14,23H,3-4,6,8-10,12H2InChIKey
HCFYPNJSAVUTMA-UHFFFAOYSA-NSynonyms
132285382
3((4ahydroxyoctahydroisoquinolin2(1H)yl)carbonyl)1Hisothiochromen1one
3(4ahydroxy13456788aoctahydroisoquinoline2carbonyl)isothiochromen1one
3(4ahydroxydecahydroisoquinoline2carbonyl)1Hisothiochromen1one
InChI=1SC19H21NO3Sc2117(161113512715(13)18(22)2416)2010919(23)843614(19)1220h1257111423H34681012H2
MFCD32262703
ZINC000828147275
ZINC000828147278
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