Vitas-M small molecule compound

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

Catalog ID
STK992981
SMILES O=C(C1CCCCC1)Oc1ccc2c(c1)O/C(=C\c1cc(Br)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 C24H21BrO6 MW 485.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21BrO6/c25-17-8-15(23-16(9-17)12-28-13-29-23)10-21-22(26)19-7-6-18(11-20(19)31-21)30-24(27)14-4-2-1-3-5-14/h6-11,14H,1-5,12-13H2/b21-10-
InChIKey
SUJGNSSTFTZWKX-FBHDLOMBSA-N
Synonyms
929380-29-0
((2Z)2((6bromo4H13benzodioxin8yl)methylidene)3oxo1benzofuran6yl)cyclohexanecarboxylate
(2Z)2((6bromo4H13benzodioxin8yl)methylidene)3oxo23dihydro1benzofuran6ylcyclohexanecarboxylate
(Z)2((6bromo4Hbenzo(d)(13)dioxin8yl)methylene)3oxo23dihydrobenzofuran6ylcyclohexanecarboxylate
2((6BROMO(2H4HBENZO(E)13DIOXIN8YL))METHYLENE)3OXOBENZO(34B)FURAN6YLCYCLOHEXANECARBOXYLATE
929380290
C1CCC(CC1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC(=CC5=C4OCOC5)Br)O3
InChI=1SC24H21BrO6c2517815(2316(917)1228132923)102122(26)197618(1120(19)3121)3024(27)144213514h61114H151213H2b2110
MFCD09844233
O=C(C1CCCCC1)Oc1ccc2c(c1)OC(=Cc1cc(Br)cc3c1OCOC3)C2=O
ZINC000009420940
ZINC09420940
ZINC9420940

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Available files

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