Vitas-M small molecule compound
2-{(3S,4R)-4-[(2-methoxy-5-methylphenyl)sulfonyl]-1,1-dioxidotetrahydrothiophen-3-yl}-1,2,3,4-tetrahydroisoquinoline
Catalog ID
STK633976
SMILES COc1ccc(cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1N1CCc2c(C1)cccc2)C
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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 C21H25NO5S2 MW 435.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO5S2/c1-15-7-8-19(27-2)20(11-15)29(25,26)21-14-28(23,24)13-18(21)22-10-9-16-5-3-4-6-17(16)12-22/h3-8,11,18,21H,9-10,12-14H2,1-2H3/t18-,21-/m0/s1InChIKey
XYVHLQSJMNANEA-RXVVDRJESA-NSynonyms
1176658-68-6(3S4R)3(34dihydro1Hisoquinolin2yl)4(2methoxy5methylphenyl)sulfonylthiolane11dioxide
(3S4R)3(34dihydroisoquinolin2(1H)yl)4((2methoxy5methylphenyl)sulfonyl)tetrahydrothiophene11dioxide
1176658686
2((3S4R)4((2methoxy5methylphenyl)sulfonyl)11dioxidotetrahydrothiophen3yl)1234tetrahydroisoquinoline
CC1=CC(=C(C=C1)OC)S(=O)(=O)C2CS(=O)(=O)CC2N3CCC4=CC=CC=C4C3
COc1ccc(cc1S(=O)(=O)(C@H)1CS(=O)(=O)C(C@@H)1N1CCc2c(C1)cccc2)C
InChI=1SC21H25NO5S2c1157819(272)20(1115)29(2526)211428(2324)1318(21)2210916534617(16)1222h38111821H9101214H212H3t1821m0s1
MFCD18246576
ZINC000019821052
ZINC19821052
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