Vitas-M small molecule compound

1-(butan-2-yl)-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-1,4-dihydropyrimidine-2-thiolate

Catalog ID
STL529144
SMILES CCC(n1c([S-])nc(=O)c(c1O)C1[NH+](C)CCc2c1c(OC)c1c(c2)OCO1)C

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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 C20H25N3O5S MW 419.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O5S/c1-5-10(2)23-19(25)14(18(24)21-20(23)29)15-13-11(6-7-22(15)3)8-12-16(17(13)26-4)28-9-27-12/h8,10,15,25H,5-7,9H2,1-4H3,(H,21,24,29)
InChIKey
MWTJQNDRKHIUGV-UHFFFAOYSA-N
Synonyms

1(butan2yl)6hydroxy5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)4oxo14dihydropyrimidine2thiolate
3butan2yl5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)6oxo2sulfanylidenepyrimidin4olate
4978992
InChI=1SC20H25N3O5Sc1510(2)2319(25)14(18(24)2120(23)29)151311(6722(15)3)81216(17(13)264)2892712h8101525H579H214H3(H212429)
MFCD31753928
ZINC000001322742
ZINC000009350078

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Available files

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