Vitas-M small molecule compound
2-({2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxoethyl}sulfanyl)-6-hydroxy-3-methylpyrimidin-4(3H)-one
Catalog ID
STL527275
SMILES COc1cc2c(cc1OC)CCN([C@H]2C)C(=O)CSc1nc(O)cc(=O)n1C
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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 C19H23N3O5S MW 405.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N3O5S/c1-11-13-8-15(27-4)14(26-3)7-12(13)5-6-22(11)18(25)10-28-19-20-16(23)9-17(24)21(19)2/h7-9,11,23H,5-6,10H2,1-4H3/t11-/m0/s1InChIKey
NWVDVOSAQDJSRQ-NSHDSACASA-NSynonyms
1212170-03-0(S)2((2(67dimethoxy1methyl34dihydroisoquinolin2(1H)yl)2oxoethyl)thio)6hydroxy3methylpyrimidin4(3H)one
1212170030
135639241
2((2((1S)67dimethoxy1methyl34dihydroisoquinolin2(1H)yl)2oxoethyl)sulfanyl)6hydroxy3methylpyrimidin4(3H)one
2(2((1~(S))67dimethoxy1methyl34dihydro1~(H)isoquinolin2yl)2oxoethyl)sulfanyl6hydroxy3methylpyrimidin4one
2(2((1S)67DIMETHOXY1METHYL34DIHYDRO1HISOQUINOLIN2YL)2OXOETHYL)SULFANYL6HYDROXY1METHYLPYRIMIDIN4ONE
COc1cc2c(cc1OC)CCN((C@H)2C)C(=O)CSc1nc(O)cc(=O)n1C
InChI=1SC19H23N3O5Sc11113815(274)14(263)712(13)5622(11)18(25)1028192016(23)917(24)21(19)2h791123H5610H214H3t11m0s1
MFCD01845594
ZINC000012661254
ZINC12661254
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