Vitas-M small molecule compound
5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-3-(4-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Catalog ID
STL524740
SMILES COc1ccc(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 C23H23N3O7 MW 453.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O7/c1-25-9-8-12-10-15-19(33-11-32-15)20(31-3)16(12)18(25)17-21(27)24-23(29)26(22(17)28)13-4-6-14(30-2)7-5-13/h4-7,10,18,28H,8-9,11H2,1-3H3,(H,24,27,29)InChIKey
NYFNBXHGOMMVSX-UHFFFAOYSA-NSynonyms
3740795
5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)3(4methoxyphenyl)26dioxo1236tetrahydropyrimidin4olate
5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)3(4methoxyphenyl)26dioxopyrimidin4olate
COc1ccc(cc1)n1c(=O)(nH)c(=O)c(c1(O))C1(NH+)(C)CCc2c1c(OC)c1c(c2)OCO1
InChI=1SC23H23N3O7c1259812101519(33113215)20(313)16(12)18(25)1721(27)2423(29)26(22(17)28)134614(302)7513h47101828H8911H213H3(H242729)
MFCD31753804
ZINC000020111571
ZINC000020111573
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