Vitas-M small molecule compound

(2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-fluorobenzenesulfonate

Catalog ID
STK993035
SMILES Fc1ccc(cc1)S(=O)(=O)Oc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)/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 C23H14ClFO7S MW 488.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H14ClFO7S/c24-15-7-13(23-14(8-15)11-29-12-30-23)9-21-22(26)19-6-3-17(10-20(19)31-21)32-33(27,28)18-4-1-16(25)2-5-18/h1-10H,11-12H2/b21-9-
InChIKey
IVWJJEDNFNGCLV-NKVSQWTQSA-N
Synonyms
929511-90-0
((2Z)2((6chloro4H13benzodioxin8yl)methylidene)3oxo1benzofuran6yl)4fluorobenzenesulfonate
(2Z)2((6chloro4H13benzodioxin8yl)methylidene)3oxo23dihydro1benzofuran6yl4fluorobenzenesulfonate
(Z)2((6chloro4Hbenzo(d)(13)dioxin8yl)methylene)3oxo23dihydrobenzofuran6yl4fluorobenzenesulfonate
2((6CHLORO(2H4HBENZO(E)13DIOXIN8YL))METHYLENE)3OXOBENZO(34B)FURAN6YL4FLUOROBENZENESULFONATE
929511900
C1C2=C(C(=CC(=C2)Cl)C=C3C(=O)C4=C(O3)C=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)F)OCO1
Fc1ccc(cc1)S(=O)(=O)Oc1ccc2c(c1)OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O
InChI=1SC23H14ClFO7Sc2415713(2314(815)1129123023)92122(26)196317(1020(19)3121)3233(2728)184116(25)2518h110H1112H2b219
MFCD09845072
ZINC000009485525
ZINC09485525
ZINC9485525

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Available files

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