Vitas-M small molecule compound

3-(4-ethylphenyl)-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
STL525715
SMILES CCc1ccc(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 C24H25N3O6 MW 451.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3O6/c1-4-13-5-7-15(8-6-13)27-23(29)18(22(28)25-24(27)30)19-17-14(9-10-26(19)2)11-16-20(21(17)31-3)33-12-32-16/h5-8,11,19,29H,4,9-10,12H2,1-3H3,(H,25,28,30)
InChIKey
AYVREQKEHNQJSX-UHFFFAOYSA-N
Synonyms

3(4ethylphenyl)5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)26dioxo1236tetrahydropyrimidin4olate
3(4ethylphenyl)5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)26dioxopyrimidin4olate
3828173
CCc1ccc(cc1)n1c(=O)(nH)c(=O)c(c1(O))C1(NH+)(C)CCc2c1c(OC)c1c(c2)OCO1
InChI=1SC24H25N3O6c14135715(8613)2723(29)18(22(28)2524(27)30)191714(91026(19)2)111620(21(17)313)33123216h58111929H491012H213H3(H252830)
MFCD31753810
ZINC000020111550
ZINC000020111552

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Available files

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