Vitas-M small molecule compound
5-{[1-(2-hydroxyethyl)-4,5-dimethyl-3-oxido-1H-imidazol-2-yl][4-(octyloxy)phenyl]methyl}pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL568894
SMILES CCCCCCCCOc1ccc(cc1)C(c1[n+]([O-])c(c(n1CCO)C)C)C1C(=O)NC(=O)NC1=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 C26H36N4O6 MW 500.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H36N4O6/c1-4-5-6-7-8-9-16-36-20-12-10-19(11-13-20)21(22-23(32)27-26(34)28-24(22)33)25-29(14-15-31)17(2)18(3)30(25)35/h10-13,21-22,31H,4-9,14-16H2,1-3H3,(H2,27,28,32,33,34)InChIKey
GPZBKNGITHJLEI-UHFFFAOYSA-NSynonyms
1(2hydroxyethyl)45dimethyl2((4(octyloxy)phenyl)(246trioxohexahydropyrimidin5yl)methyl)1Himidazole3oxide
128963110
5((1(2hydroxyethyl)45dimethyl3oxido1Himidazol2yl)(4(octyloxy)phenyl)methyl)pyrimidine246(1H3H5H)trione
5((1(2hydroxyethyl)45dimethyl3oxidoimidazol3ium2yl)(4octoxyphenyl)methyl)13diazinane246trione
CCCCCCCCOc1ccc(cc1)C(c1(n+)((O))c(c(n1CCO)C)C)C1C(=O)NC(=O)NC1=O
InChI=1SC26H36N4O6c1456789163620121019(111320)21(2223(32)2726(34)2824(22)33)2529(141531)17(2)18(3)30(25)35h1013212231H491416H213H3(H22728323334)
MFCD32653930
ZINC000524734188
ZINC000524734189
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