Vitas-M small molecule compound
7-(4-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-chlorophenoxy)acetate
Catalog ID
STK820491
SMILES O=C(Oc1cc2sc(=O)oc2c(c1)c1ccc(cc1)C)COc1ccc(cc1)Cl
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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 C22H15ClO5S MW 426.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15ClO5S/c1-13-2-4-14(5-3-13)18-10-17(11-19-21(18)28-22(25)29-19)27-20(24)12-26-16-8-6-15(23)7-9-16/h2-11H,12H2,1H3InChIKey
CPERXROXNVCFID-UHFFFAOYSA-NSynonyms
(7(4methylphenyl)2oxo13benzoxathiol5yl)2(4chlorophenoxy)acetate
7(4methylphenyl)2oxo13benzoxathiol5yl(4chlorophenoxy)acetate
7(4METHYLPHENYL)2OXOBENZO(34D)13OXATHIOLAN5YL2(4CHLOROPHENOXY)ACETATE
CC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)COC4=CC=C(C=C4)Cl
InChI=1SC22H15ClO5Sc1132414(5313)181017(111921(18)2822(25)2919)2720(24)1226168615(23)7916h211H12H21H3
MFCD01531246
ZINC000009408845
ZINC09408845
ZINC9408845
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