Vitas-M small molecule compound
(5Z)-1-(2-fluorophenyl)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]amino}methylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL527971
SMILES COc1c2c(CCN(C2CN/C=C\2/C(=O)NC(=S)N(C2=O)c2ccccc2F)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 C24H23FN4O5S MW 498.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23FN4O5S/c1-28-8-7-13-9-18-20(34-12-33-18)21(32-2)19(13)17(28)11-26-10-14-22(30)27-24(35)29(23(14)31)16-6-4-3-5-15(16)25/h3-6,9-10,17,26H,7-8,11-12H2,1-2H3,(H,27,30,35)/b14-10-InChIKey
DRXYPGJWJRWFHW-UVTDQMKNSA-NSynonyms
(5Z)1(2fluorophenyl)5((((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)methyl)amino)methylidene)2thioxodihydropyrimidine46(1H5H)dione
(Z)1(2fluorophenyl)5((((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)methyl)amino)methylene)2thioxodihydropyrimidine46(1H5H)dione
COc1c2c(CCN(C2CNC=C2C(=O)NC(=S)N(C2=O)c2ccccc2F)C)cc2c1OCO2
InChI=1SC24H23FN4O5Sc128871391820(34123318)21(322)19(13)17(28)1126101422(30)2724(35)29(23(14)31)16643515(16)25h369101726H781112H212H3(H273035)b1410
MFCD03662064
ZINC000020410746
ZINC000020410749
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