Vitas-M small molecule compound
5-[4-(benzyloxy)-3-bromobenzylidene]-2-butyl-2-methyl-1,3-dioxane-4,6-dione
Catalog ID
STL415699
SMILES CCCCC1(C)OC(=O)/C(=C/c2ccc(c(c2)Br)OCc2ccccc2)/C(=O)O1
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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 C23H23BrO5 MW 459.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23BrO5/c1-3-4-12-23(2)28-21(25)18(22(26)29-23)13-17-10-11-20(19(24)14-17)27-15-16-8-6-5-7-9-16/h5-11,13-14H,3-4,12,15H2,1-2H3/b18-13-InChIKey
VCNXIJVSGNBAGJ-AQTBWJFISA-NSynonyms
5(4(benzyloxy)3bromobenzylidene)2butyl2methyl13dioxane46dione
CCCCC1(C)OC(=O)C(=Cc2ccc(c(c2)Br)OCc2ccccc2)C(=O)O1
MFCD02771811
ZINC000016637737
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