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)-2,6-dioxo-1,3-diphenyl-1,2,3,6-tetrahydropyrimidin-4-olate
Catalog ID
STL527845
SMILES COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c([O-])n(c2ccccc2)c(=O)n(c1=O)c1ccccc1
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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 C28H25N3O6 MW 499.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O6/c1-29-14-13-17-15-20-24(37-16-36-20)25(35-2)21(17)23(29)22-26(32)30(18-9-5-3-6-10-18)28(34)31(27(22)33)19-11-7-4-8-12-19/h3-12,15,23,32H,13-14,16H2,1-2H3InChIKey
LIZWWWBYVKLUOY-UHFFFAOYSA-NSynonyms
4221682
5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)26dioxo13diphenyl1236tetrahydropyrimidin4olate
5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)26dioxo13diphenylpyrimidin4olate
COc1c2OCOc2cc2c1C((NH+)(CC2)C)c1c((O))n(c2ccccc2)c(=O)n(c1=O)c1ccccc1
InChI=1SC28H25N3O6c129141317152024(37163620)25(352)21(17)23(29)2226(32)30(1895361018)28(34)31(27(22)33)19117481219h312152332H131416H212H3
MFCD31753836
ZINC000020410597
ZINC000020410600
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