Vitas-M small molecule compound
(5Z)-1-(3,4-dimethylphenyl)-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
STL527833
SMILES COc1c2c(CCN(C2CN/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(c(c2)C)C)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 C26H28N4O6 MW 492.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O6/c1-14-5-6-17(9-15(14)2)30-25(32)18(24(31)28-26(30)33)11-27-12-19-21-16(7-8-29(19)3)10-20-22(23(21)34-4)36-13-35-20/h5-6,9-11,19,27H,7-8,12-13H2,1-4H3,(H,28,31,33)/b18-11-InChIKey
OATDKCWTINWDON-WQRHYEAKSA-NSynonyms
(5Z)1(34dimethylphenyl)5((((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)methyl)amino)methylidene)pyrimidine246(1H3H5H)trione
(Z)1(34dimethylphenyl)5((((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)methyl)amino)methylene)pyrimidine246(1H3H5H)trione
COc1c2c(CCN(C2CNC=C2C(=O)NC(=O)N(C2=O)c2ccc(c(c2)C)C)C)cc2c1OCO2
InChI=1SC26H28N4O6c1145617(915(14)2)3025(32)18(24(31)2826(30)33)112712192116(7829(19)3)102022(23(21)344)36133520h569111927H781213H214H3(H283133)b1811
MFCD03662219
ZINC000020410801
ZINC000020410803
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