Vitas-M small molecule compound

4-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl (2,4-dichlorophenoxy)acetate

Catalog ID
STK534278
SMILES COc1ccc(cc1)c1c(ccc2c1sc(=O)o2)OC(=O)COc1ccc(cc1Cl)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 C22H14Cl2O6S MW 477.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14Cl2O6S/c1-27-14-5-2-12(3-6-14)20-17(8-9-18-21(20)31-22(26)30-18)29-19(25)11-28-16-7-4-13(23)10-15(16)24/h2-10H,11H2,1H3
InChIKey
HKYWQZVMHKSDNO-UHFFFAOYSA-N
Synonyms

(4(4METHOXYPHENYL)2OXO13BENZOXATHIOL5YL)2(24DICHLOROPHENOXY)ACETATE
4(4methoxyphenyl)2oxo13benzoxathiol5yl(24dichlorophenoxy)acetate
4(4methoxyphenyl)2oxobenzo(d)(13)oxathiol5yl2(24dichlorophenoxy)acetate
COC1=CC=C(C=C1)C2=C(C=CC3=C2SC(=O)O3)OC(=O)COC4=C(C=C(C=C4)Cl)Cl
InChI=1SC22H14Cl2O6Sc127145212(3614)2017(891821(20)3122(26)3018)2919(25)1128167413(23)1015(16)24h210H11H21H3
MFCD02988356
ZINC000002209359
ZINC02209359
ZINC2209359

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Available files

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