Vitas-M small molecule compound
4-(4-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-methylphenoxy)acetate
Catalog ID
STK701967
SMILES Cc1ccc(cc1)OCC(=O)Oc1ccc2c(c1c1ccc(cc1)C)sc(=O)o2
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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 C23H18O5S MW 406.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18O5S/c1-14-3-7-16(8-4-14)21-18(11-12-19-22(21)29-23(25)28-19)27-20(24)13-26-17-9-5-15(2)6-10-17/h3-12H,13H2,1-2H3InChIKey
IHCFXGAMEDXDTK-UHFFFAOYSA-NSynonyms
(4(4METHYLPHENYL)2OXO13BENZOXATHIOL5YL)2(4METHYLPHENOXY)ACETATE
4(4methylphenyl)2oxo13benzoxathiol5yl(4methylphenoxy)acetate
CC1=CC=C(C=C1)C2=C(C=CC3=C2SC(=O)O3)OC(=O)COC4=CC=C(C=C4)C
InChI=1SC23H18O5Sc1143716(8414)2118(11121922(21)2923(25)2819)2720(24)1326179515(2)61017h312H13H212H3
MFCD03461722
ZINC000002697123
ZINC02697123
ZINC2697123
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