Vitas-M small molecule compound

(2Z)-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-2,3-dihydro-1-benzofuran-6-yl 4-fluorobenzenesulfonate

Catalog ID
STK620957
SMILES Fc1ccc(cc1)S(=O)(=O)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)/C2=O

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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 C23H15FO5S MW 422.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15FO5S/c24-17-9-12-19(13-10-17)30(26,27)29-18-11-14-20-22(15-18)28-21(23(20)25)8-4-7-16-5-2-1-3-6-16/h1-15H/b7-4+,21-8-
InChIKey
NYMFBDFVEHZWMZ-KACMKLLYSA-N
Synonyms
929489-66-7
((2Z)3oxo2((E)3phenylprop2enylidene)1benzofuran6yl)4fluorobenzenesulfonate
(2Z)3oxo2((2E)3phenylprop2en1ylidene)23dihydro1benzofuran6yl4fluorobenzenesulfonate
(Z)3oxo2((E)3phenylallylidene)23dihydrobenzofuran6yl4fluorobenzenesulfonate
2((2E)3PHENYLPROP2ENYLIDENE)3OXOBENZO(34B)FURAN6YL4FLUOROBENZENESULFONATE
929489667
C1=CC=C(C=C1)C=CC=C2C(=O)C3=C(O2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)F
Fc1ccc(cc1)S(=O)(=O)Oc1ccc2c(c1)OC(=CC=Cc1ccccc1)C2=O
InChI=1SC23H15FO5Sc241791219(131017)30(2627)291811142022(1518)2821(23(20)25)847165213616h115Hb74+218
MFCD09793097
ZINC000008990590
ZINC08990590
ZINC8990590

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Available files

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