Vitas-M small molecule compound
5-(3-bromo-4-hydroxybenzylidene)-2-butyl-2-methyl-1,3-dioxane-4,6-dione
Catalog ID
STL415665
SMILES CCCCC1(C)OC(=O)/C(=C/c2ccc(c(c2)Br)O)/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 C16H17BrO5 MW 369.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17BrO5/c1-3-4-7-16(2)21-14(19)11(15(20)22-16)8-10-5-6-13(18)12(17)9-10/h5-6,8-9,18H,3-4,7H2,1-2H3/b11-8-InChIKey
NUMNNYHQAWAFDE-FLIBITNWSA-NSynonyms
5(3bromo4hydroxybenzylidene)2butyl2methyl13dioxane46dione
CCCCC1(C)OC(=O)C(=Cc2ccc(c(c2)Br)O)C(=O)O1
MFCD07591474
ZINC000058833948
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