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)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
Catalog ID
STL564926
SMILES COc1c2OCOc2cc2c1C(N(CC2)C)c1c(O)n(CC)c(=S)n(c1=O)CC
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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/c1-5-22-18(24)14(19(25)23(6-2)20(22)29)15-13-11(7-8-21(15)3)9-12-16(17(13)26-4)28-10-27-12/h9,15,24H,5-8,10H2,1-4H3InChIKey
JTCVQEPGJJFAEY-UHFFFAOYSA-NSynonyms
13diethyl5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)6oxo2sulfanylidenepyrimidin4olate
13diethyl6hydroxy5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)2thioxo23dihydropyrimidin4(1H)one
3422121
InChI=1SC20H25N3O5Sc152218(24)14(19(25)23(62)20(22)29)151311(7821(15)3)91216(17(13)264)28102712h91524H5810H214H3
MFCD03267461
ZINC000020411853
ZINC000020411855
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