Vitas-M small molecule compound
5-{(1-benzyl-4,5-dimethyl-3-oxido-1H-imidazol-2-yl)[3-(hydroxymethyl)-4-methoxyphenyl]methyl}-2,2-dimethyl-1,3-dioxane-4,6-dione
Catalog ID
STL567605
SMILES COc1ccc(cc1CO)C(c1[n+]([O-])c(c(n1Cc1ccccc1)C)C)C1C(=O)OC(OC1=O)(C)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 C27H30N2O7 MW 494.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O7/c1-16-17(2)29(33)24(28(16)14-18-9-7-6-8-10-18)22(19-11-12-21(34-5)20(13-19)15-30)23-25(31)35-27(3,4)36-26(23)32/h6-13,22-23,30H,14-15H2,1-5H3InChIKey
RVBTUPIMUNHFOR-UHFFFAOYSA-NSynonyms
128963209
1benzyl2((22dimethyl46dioxo13dioxan5yl)(3(hydroxymethyl)4methoxyphenyl)methyl)45dimethyl1Himidazole3oxide
5((1benzyl45dimethyl3oxido1Himidazol2yl)(3(hydroxymethyl)4methoxyphenyl)methyl)22dimethyl13dioxane46dione
5((1benzyl45dimethyl3oxidoimidazol3ium2yl)(3(hydroxymethyl)4methoxyphenyl)methyl)22dimethyl13dioxane46dione
COc1ccc(cc1CO)C(c1(n+)((O))c(c(n1Cc1ccccc1)C)C)C1C(=O)OC(OC1=O)(C)C
InChI=1SC27H30N2O7c11617(2)29(33)24(28(16)141897681018)22(19111221(345)20(1319)1530)2325(31)3527(34)3626(23)32h613222330H1415H215H3
MFCD32652802
ZINC000524734570
ZINC000524734571
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