Vitas-M small molecule compound
(2Z)-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-bromobenzenesulfonate
Catalog ID
STK992298
SMILES Cc1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2)OS(=O)(=O)c1ccc(cc1)Br
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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 C22H15BrO5S MW 471.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15BrO5S/c1-14-2-4-15(5-3-14)12-21-22(24)19-11-8-17(13-20(19)27-21)28-29(25,26)18-9-6-16(23)7-10-18/h2-13H,1H3/b21-12-InChIKey
NNWWTIFNWZWCJN-MTJSOVHGSA-NSynonyms
929390-95-4((2Z)2((4methylphenyl)methylidene)3oxo1benzofuran6yl)4bromobenzenesulfonate
(2Z)2(4methylbenzylidene)3oxo23dihydro1benzofuran6yl4bromobenzenesulfonate
(Z)2(4methylbenzylidene)3oxo23dihydrobenzofuran6yl4bromobenzenesulfonate
2((4METHYLPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YL4BROMOBENZENESULFONATE
929390954
CC1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Br
Cc1ccc(cc1)C=C1Oc2c(C1=O)ccc(c2)OS(=O)(=O)c1ccc(cc1)Br
InChI=1SC22H15BrO5Sc1142415(5314)122122(24)1911817(1320(19)2721)2829(2526)189616(23)71018h213H1H3b2112
MFCD08750635
ZINC000009419691
ZINC09419691
ZINC9419691
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