Vitas-M small molecule compound
5-(3-bromo-4-hydroxy-5-nitrobenzylidene)-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione
Catalog ID
STK796746
SMILES O=C1OC(C)(OC(=O)/C/1=C\c1cc(Br)c(c(c1)[N+](=O)[O-])O)C(C)(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 C16H16BrNO7 MW 414.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16BrNO7/c1-15(2,3)16(4)24-13(20)9(14(21)25-16)5-8-6-10(17)12(19)11(7-8)18(22)23/h5-7,19H,1-4H3/b9-5-InChIKey
WOZRTVJSOONJIB-UITAMQMPSA-NSynonyms
690685-24-65(3bromo4hydroxy5nitrobenzylidene)2(tertbutyl)2methyl13dioxane46dione
5(3bromo4hydroxy5nitrobenzylidene)2tertbutyl2methyl13dioxane46dione
690685246
MFCD03666225
O=C1OC(C)(OC(=O)C1=Cc1cc(Br)c(c(c1)(N+)(=O)(O))O)C(C)(C)C
ZINC000004442381
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