Vitas-M small molecule compound
(5Z)-5-{[(3-methyl-1-oxoisoquinolin-2(1H)-yl)amino]methylidene}-1-(4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL295760
SMILES Cc1ccc(cc1)N1C(=O)NC(=O)/C(=C/Nn2c(C)cc3c(c2=O)cccc3)/C1=O
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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 C22H18N4O4 MW 402.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O4/c1-13-7-9-16(10-8-13)25-20(28)18(19(27)24-22(25)30)12-23-26-14(2)11-15-5-3-4-6-17(15)21(26)29/h3-12,23H,1-2H3,(H,24,27,30)/b18-12-InChIKey
GPHSDDNARAROIJ-PDGQHHTCSA-NSynonyms
(5Z)5(((3methyl1oxoisoquinolin2(1H)yl)amino)methylidene)1(4methylphenyl)pyrimidine246(1H3H5H)trione
(5Z)5(((3methyl1oxoisoquinolin2yl)amino)methylidene)1(4methylphenyl)13diazinane246trione
CC1=CC=C(C=C1)N2C(=O)C(=CNN3C(=CC4=CC=CC=C4C3=O)C)C(=O)NC2=O
Cc1ccc(cc1)N1C(=O)NC(=O)C(=CNn2c(C)cc3c(c2=O)cccc3)C1=O
InChI=1SC22H18N4O4c1137916(10813)2520(28)18(19(27)2422(25)30)12232614(2)1115534617(15)21(26)29h31223H12H3(H242730)b1812
MFCD28033126
ZINC000095471084
ZINC95471084
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