Vitas-M small molecule compound
7-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl (2E)-3-phenylprop-2-enoate
Catalog ID
STK882190
SMILES COc1ccc(cc1)c1cc(OC(=O)/C=C/c2ccccc2)cc2c1oc(=O)s2
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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/c1-26-17-10-8-16(9-11-17)19-13-18(14-20-22(19)28-23(25)29-20)27-21(24)12-7-15-5-3-2-4-6-15/h2-14H,1H3/b12-7+InChIKey
OWCPAGWDHVWHGD-KPKJPENVSA-NSynonyms
(7(4methoxyphenyl)2oxo13benzoxathiol5yl)(E)3phenylprop2enoate
7(4methoxyphenyl)2oxo13benzoxathiol5yl(2E)3phenylprop2enoate
COC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C=CC4=CC=CC=C4
COc1ccc(cc1)c1cc(OC(=O)C=Cc2ccccc2)cc2c1oc(=O)s2
InChI=1SC23H16O5Sc1261710816(91117)191318(142022(19)2823(25)2920)2721(24)127155324615h214H1H3b127+
MFCD06646027
ZINC000016742522
ZINC16742522
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