Vitas-M small molecule compound
1,3-diethyl-6-hydroxy-5-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)acetyl]-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Catalog ID
STL526938
SMILES COc1c2c(CCN(C2CC(=O)c2c(O)n(CC)c(=S)n(c2=O)CC)C)cc2c1OCO2
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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 C22H27N3O6S MW 461.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O6S/c1-5-24-20(27)17(21(28)25(6-2)22(24)32)14(26)10-13-16-12(7-8-23(13)3)9-15-18(19(16)29-4)31-11-30-15/h9,13,27H,5-8,10-11H2,1-4H3InChIKey
SSJHCWAKCASLJG-UHFFFAOYSA-NSynonyms
384360-50-313diethyl6hydroxy5((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)acetyl)2thioxo23dihydropyrimidin4(1H)one
13diethyl6hydroxy5(2(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)acetyl)2thioxo23dihydropyrimidin4(1H)one
13diethyl6hydroxy5(2(4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin5yl)acetyl)2sulfanylidenepyrimidin4one
13DIETHYL6HYDROXY5(2(4METHOXY6METHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN5YL)ACETYL)2SULFANYLIDENEPYRIMIDIN4ONE
3696955
384360503
InChI=1SC22H27N3O6Sc152420(27)17(21(28)25(62)22(24)32)14(26)10131612(7823(13)3)91518(19(16)294)31113015h91327H581011H214H3
MFCD03265866
ZINC000020113017
ZINC000020113020
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