Vitas-M small molecule compound
7-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-bromophenoxy)acetate
Catalog ID
STK797160
SMILES COc1ccc(cc1)c1cc(OC(=O)COc2ccc(cc2)Br)cc2c1oc(=O)s2
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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 C22H15BrO6S MW 487.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15BrO6S/c1-26-15-6-2-13(3-7-15)18-10-17(11-19-21(18)29-22(25)30-19)28-20(24)12-27-16-8-4-14(23)5-9-16/h2-11H,12H2,1H3InChIKey
OFKRMIDJSFHZMK-UHFFFAOYSA-NSynonyms
(7(4METHOXYPHENYL)2OXO13BENZOXATHIOL5YL)2(4BROMOPHENOXY)ACETATE
7(4methoxyphenyl)2oxo13benzoxathiol5yl(4bromophenoxy)acetate
COC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)COC4=CC=C(C=C4)Br
InChI=1SC22H15BrO6Sc126156213(3715)181017(111921(18)2922(25)3019)2820(24)1227168414(23)5916h211H12H21H3
MFCD03225874
ZINC000009408856
ZINC09408856
ZINC9408856
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