Vitas-M small molecule compound
6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-4-oxo-1-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-2-thiolate
Catalog ID
STL528389
SMILES COc1cc(cc(c1OC)OC)n1c([S-])nc(=O)c(c1O)C1[NH+](C)CCc2c1c(OC)c1c(c2)OCO1
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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 C25H27N3O8S MW 529.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O8S/c1-27-7-6-12-8-16-21(36-11-35-16)22(34-5)17(12)19(27)18-23(29)26-25(37)28(24(18)30)13-9-14(31-2)20(33-4)15(10-13)32-3/h8-10,19,30H,6-7,11H2,1-5H3,(H,26,29,37)InChIKey
SMSPOUUVDXWGFY-UHFFFAOYSA-NSynonyms
3448832
5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)6oxo2sulfanylidene3(345trimethoxyphenyl)pyrimidin4olate
6hydroxy5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)4oxo1(345trimethoxyphenyl)14dihydropyrimidine2thiolate
InChI=1SC25H27N3O8Sc127761281621(36113516)22(345)17(12)19(27)1823(29)2625(37)28(24(18)30)13914(312)20(334)15(1013)323h8101930H6711H215H3(H262937)
MFCD31753859
ZINC000001815328
ZINC000001815330
Check stock
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