Vitas-M small molecule compound
(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-6-[(2-methylprop-2-en-1-yl)oxy]-1-benzofuran-3(2H)-one
Catalog ID
STK621003
SMILES CC(=C)COc1ccc2c(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 C21H17BrO5 MW 429.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrO5/c1-12(2)9-25-16-3-4-17-18(8-16)27-19(20(17)23)7-13-5-15(22)6-14-10-24-11-26-21(13)14/h3-8H,1,9-11H2,2H3/b19-7-InChIKey
XVYXMJAHVHNOPT-GXHLCREISA-NSynonyms
929434-68-4(2Z)2((6bromo4H13benzodioxin8yl)methylidene)6((2methylprop2en1yl)oxy)1benzofuran3(2H)one
(2Z)2((6bromo4H13benzodioxin8yl)methylidene)6(2methylprop2enoxy)1benzofuran3one
(Z)2((6bromo4Hbenzo(d)(13)dioxin8yl)methylene)6((2methylallyl)oxy)benzofuran3(2H)one
2((6BROMO(2H4HBENZO(E)13DIOXAN8YL))METHYLENE)6(2METHYLPROP2ENYLOXY)BENZO(B)FURAN3ONE
929434684
CC(=C)COC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=CC4=C3OCOC4)Br)O2
CC(=C)COc1ccc2c(c1)OC(=Cc1cc(Br)cc3c1OCOC3)C2=O
InChI=1SC21H17BrO5c112(2)92516341718(816)2719(20(17)23)713515(22)6141024112621(13)14h38H1911H22H3b197
MFCD09794116
ZINC000013655294
ZINC13655294
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