Vitas-M small molecule compound
3-(4-bromophenyl)-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
STL524891
SMILES COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c(=O)[nH]c(=O)n(c1[O-])c1ccc(cc1)Br
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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 C22H20BrN3O6 MW 502.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrN3O6/c1-25-8-7-11-9-14-18(32-10-31-14)19(30-2)15(11)17(25)16-20(27)24-22(29)26(21(16)28)13-5-3-12(23)4-6-13/h3-6,9,17,28H,7-8,10H2,1-2H3,(H,24,27,29)InChIKey
SWSZBENMAVFENG-UHFFFAOYSA-NSynonyms
3(4bromophenyl)5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)26dioxo1236tetrahydropyrimidin4olate
3(4bromophenyl)5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)26dioxopyrimidin4olate
4638366
COc1c2OCOc2cc2c1C((NH+)(CC2)C)c1c(=O)(nH)c(=O)n(c1(O))c1ccc(cc1)Br
InChI=1SC22H20BrN3O6c125871191418(32103114)19(302)15(11)17(25)1620(27)2422(29)26(21(16)28)135312(23)4613h3691728H7810H212H3(H242729)
MFCD31753807
ZINC000020411623
ZINC000020411625
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