Vitas-M small molecule compound
3-benzyl-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
STL524546
SMILES COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c(=O)[nH]c(=O)n(c1[O-])Cc1ccccc1
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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 C23H23N3O6 MW 437.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O6/c1-25-9-8-14-10-15-19(32-12-31-15)20(30-2)16(14)18(25)17-21(27)24-23(29)26(22(17)28)11-13-6-4-3-5-7-13/h3-7,10,18,28H,8-9,11-12H2,1-2H3,(H,24,27,29)InChIKey
APQDIRFZJARDGZ-UHFFFAOYSA-NSynonyms
3benzyl5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)26dioxo1236tetrahydropyrimidin4olate
3benzyl5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)26dioxopyrimidin4olate
5252885
COc1c2OCOc2cc2c1C((NH+)(CC2)C)c1c(=O)(nH)c(=O)n(c1(O))Cc1ccccc1
InChI=1SC23H23N3O6c1259814101519(32123115)20(302)16(14)18(25)1721(27)2423(29)26(22(17)28)11136435713h37101828H891112H212H3(H242729)
MFCD31753803
ZINC000020111466
ZINC000020111468
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