Vitas-M small molecule compound
(2Z)-2-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzenesulfonate
Catalog ID
STK992786
SMILES COc1ccccc1/C=C/C=C/1\Oc2c(C1=O)ccc(c2)OS(=O)(=O)c1ccc(cc1)C
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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 C25H20O6S MW 448.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20O6S/c1-17-10-13-20(14-11-17)32(27,28)31-19-12-15-21-24(16-19)30-23(25(21)26)9-5-7-18-6-3-4-8-22(18)29-2/h3-16H,1-2H3/b7-5+,23-9-InChIKey
XFMUPZCGYNMXLK-JLAGCLJESA-NSynonyms
929457-42-1((2Z)2((E)3(2methoxyphenyl)prop2enylidene)3oxo1benzofuran6yl)4methylbenzenesulfonate
(2Z)2((2E)3(2methoxyphenyl)prop2en1ylidene)3oxo23dihydro1benzofuran6yl4methylbenzenesulfonate
(Z)2((E)3(2methoxyphenyl)allylidene)3oxo23dihydrobenzofuran6yl4methylbenzenesulfonate
2((2E)3(2METHOXYPHENYL)PROP2ENYLIDENE)3OXOBENZO(34B)FURAN6YL4METHYLBENZENESULFONATE
929457421
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(=CC=CC4=CC=CC=C4OC)O3
COc1ccccc1C=CC=C1Oc2c(C1=O)ccc(c2)OS(=O)(=O)c1ccc(cc1)C
InChI=1SC25H20O6Sc117101320(141117)32(2728)311912152124(1619)3023(25(21)26)95718634822(18)292h316H12H3b75+239
MFCD09847876
ZINC000008991057
ZINC08991057
ZINC8991057
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