Vitas-M small molecule compound
1-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]-2-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]ethanone
Catalog ID
STL527309
SMILES COc1cc2c(cc1OC)CCN([C@H]2C)C(=O)CSc1nc(O)c(c(n1)O)CC
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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 C20H25N3O5S MW 419.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O5S/c1-5-13-18(25)21-20(22-19(13)26)29-10-17(24)23-7-6-12-8-15(27-3)16(28-4)9-14(12)11(23)2/h8-9,11H,5-7,10H2,1-4H3,(H2,21,22,25,26)/t11-/m0/s1InChIKey
WQLAGMMDTNEVTH-NSHDSACASA-NSynonyms
1212222-29-11((1S)67dimethoxy1methyl34dihydroisoquinolin2(1H)yl)2((5ethyl46dihydroxypyrimidin2yl)sulfanyl)ethanone
1212222291
2(2((1~(S))67dimethoxy1methyl34dihydro1~(H)isoquinolin2yl)2oxoethyl)sulfanyl5ethyl4hydroxy1~(H)pyrimidin6one
2(2((1S)67DIMETHOXY1METHYL34DIHYDRO1HISOQUINOLIN2YL)2OXOETHYL)SULFANYL5ETHYL4HYDROXY1HPYRIMIDIN6ONE
6576116
InChI=1SC20H25N3O5Sc151318(25)2120(2219(13)26)291017(24)237612815(273)16(284)914(12)11(23)2h8911H5710H214H3(H221222526)t11m0s1
MFCD03266659
ZINC000012662264
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