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-(3-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Catalog ID
STL527701
SMILES COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c(=O)[nH]c(=O)n(c1[O-])c1cccc(c1)OC
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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/c1-25-8-7-12-9-15-19(33-11-32-15)20(31-3)16(12)18(25)17-21(27)24-23(29)26(22(17)28)13-5-4-6-14(10-13)30-2/h4-6,9-10,18,28H,7-8,11H2,1-3H3,(H,24,27,29)InChIKey
ACASYHWEXCXODG-UHFFFAOYSA-NSynonyms
4441336
5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)3(3methoxyphenyl)26dioxo1236tetrahydropyrimidin4olate
5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)3(3methoxyphenyl)26dioxopyrimidin4olate
COc1c2OCOc2cc2c1C((NH+)(CC2)C)c1c(=O)(nH)c(=O)n(c1(O))c1cccc(c1)OC
InChI=1SC23H23N3O7c125871291519(33113215)20(313)16(12)18(25)1721(27)2423(29)26(22(17)28)1354614(1013)302h469101828H7811H213H3(H242729)
MFCD31753835
ZINC000020410441
ZINC000020410446
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