Vitas-M small molecule compound

4-(4-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-chlorophenoxy)acetate

Catalog ID
STK701945
SMILES O=C(Oc1ccc2c(c1c1ccc(cc1)C)sc(=O)o2)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)20-17(10-11-18-21(20)29-22(25)28-18)27-19(24)12-26-16-8-6-15(23)7-9-16/h2-11H,12H2,1H3
InChIKey
VJNLABMDKRGCQY-UHFFFAOYSA-N
Synonyms

(4(4METHYLPHENYL)2OXO13BENZOXATHIOL5YL)2(4CHLOROPHENOXY)ACETATE
4(4methylphenyl)2oxo13benzoxathiol5yl(4chlorophenoxy)acetate
CC1=CC=C(C=C1)C2=C(C=CC3=C2SC(=O)O3)OC(=O)COC4=CC=C(C=C4)Cl
InChI=1SC22H15ClO5Sc1132414(5313)2017(10111821(20)2922(25)2818)2719(24)1226168615(23)7916h211H12H21H3
MFCD03461709
ZINC000002697067
ZINC02697067
ZINC2697067

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Available files

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