Vitas-M small molecule compound

(2Z)-2-(2-chlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl benzenesulfonate

Catalog ID
STK660897
SMILES O=C1/C(=C/c2ccccc2Cl)/Oc2c1ccc(c2)OS(=O)(=O)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 C21H13ClO5S MW 412.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13ClO5S/c22-18-9-5-4-6-14(18)12-20-21(23)17-11-10-15(13-19(17)26-20)27-28(24,25)16-7-2-1-3-8-16/h1-13H/b20-12-
InChIKey
CPEZPQRYADURBA-NDENLUEZSA-N
Synonyms
929470-64-4
((2Z)2((2chlorophenyl)methylidene)3oxo1benzofuran6yl)benzenesulfonate
(2Z)2(2chlorobenzylidene)3oxo23dihydro1benzofuran6ylbenzenesulfonate
(Z)2(2chlorobenzylidene)3oxo23dihydrobenzofuran6ylbenzenesulfonate
2((2CHLOROPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YLBENZENESULFONATE
929470644
C1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC=CC=C4Cl)O3
InChI=1SC21H13ClO5Sc2218954614(18)122021(23)17111015(1319(17)2620)2728(2425)167213816h113Hb2012
MFCD08750576
O=C1C(=Cc2ccccc2Cl)Oc2c1ccc(c2)OS(=O)(=O)c1ccccc1
ZINC000009419612
ZINC09419612
ZINC9419612

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Available files

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