Vitas-M small molecule compound
2-{[5-(3,4-dichlorobenzyl)-4,6-dihydroxypyrimidin-2-yl]sulfanyl}-1-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)ethanone
Catalog ID
STL529349
SMILES COc1cc2CCN(C(c2cc1OC)C)C(=O)CSc1nc(O)c(c(n1)O)Cc1ccc(c(c1)Cl)Cl
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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 C25H25Cl2N3O5S MW 550.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25Cl2N3O5S/c1-13-16-11-21(35-3)20(34-2)10-15(16)6-7-30(13)22(31)12-36-25-28-23(32)17(24(33)29-25)8-14-4-5-18(26)19(27)9-14/h4-5,9-11,13H,6-8,12H2,1-3H3,(H2,28,29,32,33)InChIKey
JIRLDNPBWQMFMK-UHFFFAOYSA-NSynonyms
2((5(34dichlorobenzyl)46dihydroxypyrimidin2yl)sulfanyl)1(67dimethoxy1methyl34dihydroisoquinolin2(1H)yl)ethanone
3693300
5((34dichlorophenyl)methyl)2(2(67dimethoxy1methyl34dihydro1~(H)isoquinolin2yl)2oxoethyl)sulfanyl4hydroxy1~(H)pyrimidin6one
5((34DICHLOROPHENYL)METHYL)2(2(67DIMETHOXY1METHYL34DIHYDRO1HISOQUINOLIN2YL)2OXOETHYL)SULFANYL4HYDROXY1HPYRIMIDIN6ONE
InChI=1SC25H25Cl2N3O5Sc113161121(353)20(342)1015(16)6730(13)22(31)1236252823(32)17(24(33)2925)8144518(26)19(27)914h4591113H6812H213H3(H228293233)
MFCD05735222
ZINC000001318381
ZINC000004396549
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