Vitas-M small molecule compound
3-(4-ethoxyphenyl)-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Catalog ID
STL525905
SMILES CCOc1ccc(cc1)n1c(=O)[nH]c(=O)c(c1[O-])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 C24H25N3O7 MW 467.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3O7/c1-4-32-15-7-5-14(6-8-15)27-23(29)18(22(28)25-24(27)30)19-17-13(9-10-26(19)2)11-16-20(21(17)31-3)34-12-33-16/h5-8,11,19,29H,4,9-10,12H2,1-3H3,(H,25,28,30)InChIKey
IFIABLZAUQMXPZ-UHFFFAOYSA-NSynonyms
3(4ethoxyphenyl)5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)26dioxo1236tetrahydropyrimidin4olate
3(4ethoxyphenyl)5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)26dioxopyrimidin4olate
3717075
CCOc1ccc(cc1)n1c(=O)(nH)c(=O)c(c1(O))C1(NH+)(C)CCc2c1c(OC)c1c(c2)OCO1
InChI=1SC24H25N3O7c1432157514(6815)2723(29)18(22(28)2524(27)30)191713(91026(19)2)111620(21(17)313)34123316h58111929H491012H213H3(H252830)
MFCD31753811
ZINC000020111579
ZINC000020111581
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