Vitas-M small molecule compound
5-(4-bromobenzylidene)-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione
Catalog ID
STL412266
SMILES CC(C1(C)OC(=O)/C(=C/c2ccc(cc2)Br)/C(=O)O1)(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 C16H17BrO4 MW 353.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17BrO4/c1-15(2,3)16(4)20-13(18)12(14(19)21-16)9-10-5-7-11(17)8-6-10/h5-9H,1-4H3/b12-9-InChIKey
YYMVENIXJJAKGD-XFXZXTDPSA-NSynonyms
5(4bromobenzylidene)2tertbutyl2methyl13dioxane46dione
CC(C1(C)OC(=O)C(=Cc2ccc(cc2)Br)C(=O)O1)(C)C
MFCD03549591
ZINC000001405988
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