Vitas-M small molecule compound
(5E)-1-(4-bromophenyl)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL527250
SMILES COc1c2c(CCN(C2CN/C=C/2\C(=O)NC(=O)N(C2=O)c2ccc(cc2)Br)C)cc2c1OCO2
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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 C24H23BrN4O6 MW 543.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23BrN4O6/c1-28-8-7-13-9-18-20(35-12-34-18)21(33-2)19(13)17(28)11-26-10-16-22(30)27-24(32)29(23(16)31)15-5-3-14(25)4-6-15/h3-6,9-10,17,26H,7-8,11-12H2,1-2H3,(H,27,30,32)/b16-10+InChIKey
QYCQCPKTAMEYSR-MHWRWJLKSA-NSynonyms
(5E)1(4bromophenyl)5((((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)methyl)amino)methylidene)pyrimidine246(1H3H5H)trione
(E)1(4bromophenyl)5((((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)methyl)amino)methylene)pyrimidine246(1H3H5H)trione
COc1c2c(CCN(C2CNC=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)Br)C)cc2c1OCO2
InChI=1SC24H23BrN4O6c128871391820(35123418)21(332)19(13)17(28)1126101622(30)2724(32)29(23(16)31)155314(25)4615h369101726H781112H212H3(H273032)b1610+
MFCD03267016
ZINC000070672564
ZINC000070672567
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