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-(prop-2-en-1-yl)-1,4-dihydropyrimidine-2-thiolate
Catalog ID
STL528301
SMILES C=CCn1c([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 C19H21N3O5S MW 403.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O5S/c1-4-6-22-18(24)13(17(23)20-19(22)28)14-12-10(5-7-21(14)2)8-11-15(16(12)25-3)27-9-26-11/h4,8,14,24H,1,5-7,9H2,2-3H3,(H,20,23,28)InChIKey
GAIAWCIKELXUFQ-UHFFFAOYSA-NSynonyms
401466-83-9401466839
5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)6oxo3prop2enyl2sulfanylidenepyrimidin4olate
5027441
6hydroxy5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)4oxo1(prop2en1yl)14dihydropyrimidine2thiolate
InChI=1SC19H21N3O5Sc1462218(24)13(17(23)2019(22)28)141210(5721(14)2)81115(16(12)253)2792611h481424H1579H223H3(H202328)
MFCD31753842
ZINC000001321411
ZINC000001321413
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