Vitas-M small molecule compound
methyl 4-{[1-(2-hydroxyethyl)-4,5-dimethyl-3-oxido-1H-imidazol-2-yl](2,4,6-trioxohexahydropyrimidin-5-yl)methyl}benzoate
Catalog ID
STL569596
SMILES OCCn1c(C)c([n+](c1C(C1C(=O)NC(=O)NC1=O)c1ccc(cc1)C(=O)OC)[O-])C
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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 C20H22N4O7 MW 430.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O7/c1-10-11(2)24(30)18(23(10)8-9-25)14(15-16(26)21-20(29)22-17(15)27)12-4-6-13(7-5-12)19(28)31-3/h4-7,14-15,25H,8-9H2,1-3H3,(H2,21,22,26,27,29)InChIKey
MJMZCQWAMHPKAH-UHFFFAOYSA-NSynonyms
1(2hydroxyethyl)2((4(methoxycarbonyl)phenyl)(246trioxohexahydropyrimidin5yl)methyl)45dimethyl1Himidazole3oxide
128962631
InChI=1SC20H22N4O7c11011(2)24(30)18(23(10)8925)14(1516(26)2120(29)2217(15)27)124613(7512)19(28)313h47141525H89H213H3(H22122262729)
methyl4((1(2hydroxyethyl)45dimethyl3oxido1Himidazol2yl)(246trioxohexahydropyrimidin5yl)methyl)benzoate
methyl4((1(2hydroxyethyl)45dimethyl3oxidoimidazol3ium2yl)(246trioxo13diazinan5yl)methyl)benzoate
MFCD32654520
OCCn1c(C)c((n+)(c1C(C1C(=O)NC(=O)NC1=O)c1ccc(cc1)C(=O)OC)(O))C
ZINC000524732524
ZINC000524732525
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