Vitas-M small molecule compound
5-[2-(4-bromophenyl)-2-oxoethyl]-5-chloro-2,2-dimethyl-1,3-dioxane-4,6-dione
Catalog ID
STK279527
SMILES O=C(c1ccc(cc1)Br)CC1(Cl)C(=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 C14H12BrClO5 MW 375.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12BrClO5/c1-13(2)20-11(18)14(16,12(19)21-13)7-10(17)8-3-5-9(15)6-4-8/h3-6H,7H2,1-2H3InChIKey
TWSAAORAWFLYSA-UHFFFAOYSA-NSynonyms
5(2(4BROMOPHENYL)2OXOETHYL)5CHLORO22DIMETHYL13DIOXANE46DIONE
CC1(OC(=O)C(C(=O)O1)(CC(=O)C2=CC=C(C=C2)Br)Cl)C
InChI=1SC14H12BrClO5c113(2)2011(18)14(1612(19)2113)710(17)8359(15)648h36H7H212H3
MFCD00827929
ZINC000003663193
ZINC03663193
ZINC3663193
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