Vitas-M small molecule compound
1-butyl-4-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-6-oxo-1,6-dihydropyrimidine-2-thiolate
Catalog ID
STL528362
SMILES CCCCn1c([S-])nc(c(c1=O)C1[NH+](C)CCc2c1c(OC)c1c(c2)OCO1)O
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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/c1-4-5-7-23-19(25)14(18(24)21-20(23)29)15-13-11(6-8-22(15)2)9-12-16(17(13)26-3)28-10-27-12/h9,15,24H,4-8,10H2,1-3H3,(H,21,29)InChIKey
QBOMMHAXNJNCBX-UHFFFAOYSA-NSynonyms
1butyl4hydroxy5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)6oxo16dihydropyrimidine2thiolate
InChI=1SC20H25N3O5Sc14572319(25)14(18(24)2120(23)29)151311(6822(15)2)91216(17(13)263)28102712h91524H4810H213H3(H2129)
MFCD07197835
ZINC000009301992
ZINC000009301993
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