Vitas-M small molecule compound
2-oxo-7-phenyl-1,3-benzoxathiol-5-yl (2E)-3-(4-methoxyphenyl)prop-2-enoate
Catalog ID
STK907725
SMILES COc1ccc(cc1)/C=C/C(=O)Oc1cc2sc(=O)oc2c(c1)c1ccccc1
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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 C23H16O5S MW 404.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16O5S/c1-26-17-10-7-15(8-11-17)9-12-21(24)27-18-13-19(16-5-3-2-4-6-16)22-20(14-18)29-23(25)28-22/h2-14H,1H3/b12-9+InChIKey
MKULSZIZDYQAGB-FMIVXFBMSA-NSynonyms
(2oxo7phenyl13benzoxathiol5yl)(E)3(4methoxyphenyl)prop2enoate
2oxo7phenyl13benzoxathiol5yl(2E)3(4methoxyphenyl)prop2enoate
COC1=CC=C(C=C1)C=CC(=O)OC2=CC3=C(C(=C2)C4=CC=CC=C4)OC(=O)S3
COc1ccc(cc1)C=CC(=O)Oc1cc2sc(=O)oc2c(c1)c1ccccc1
InChI=1SC23H16O5Sc1261710715(81117)91221(24)27181319(165324616)2220(1418)2923(25)2822h214H1H3b129+
MFCD06647239
ZINC000016751529
ZINC16751529
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