Vitas-M small molecule compound
2-(1,1-dioxidotetrahydrothiophen-3-yl)-6-[(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)carbonyl]-4,5-dihydropyridazin-3(2H)-one
Catalog ID
STL248544
SMILES O=C(N1CCC2(C(C1)CCCC2)O)C1=NN(C(=O)CC1)C1CCS(=O)(=O)C1
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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 C18H27N3O5S MW 397.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H27N3O5S/c22-16-5-4-15(19-21(16)14-6-10-27(25,26)12-14)17(23)20-9-8-18(24)7-2-1-3-13(18)11-20/h13-14,24H,1-12H2InChIKey
HCFBIJSVCFXLRO-UHFFFAOYSA-NSynonyms
2(11dioxidotetrahydrothiophen3yl)6((4ahydroxyoctahydroisoquinolin2(1H)yl)carbonyl)45dihydropyridazin3(2H)one
2(11dioxidotetrahydrothiophen3yl)6((4aS8aS)4ahydroxydecahydroisoquinoline2carbonyl)45dihydropyridazin3(2H)one
6(4ahydroxy13456788aoctahydroisoquinoline2carbonyl)2(11dioxothiolan3yl)45dihydropyridazin3one
C1CCC2(CCN(CC2C1)C(=O)C3=NN(C(=O)CC3)C4CCS(=O)(=O)C4)O
InChI=1SC18H27N3O5Sc22165415(1921(16)1461027(2526)1214)17(23)209818(24)721313(18)1120h131424H112H2
MFCD24861229
O=C(N1CC(C@@)2((C@H)(C1)CCCC2)O)C1=NN(C(=O)CC1)C1CCS(=O)(=O)C1
ZINC000072405549
ZINC000080332213
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