Vitas-M small molecule compound

(2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-6-[(2-methylprop-2-en-1-yl)oxy]-1-benzofuran-3(2H)-one

Catalog ID
STK856819
SMILES CC(=C)COc1ccc2c(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 C21H17ClO5 MW 384.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClO5/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
ONWBUOWKPQAEBQ-GXHLCREISA-N
Synonyms
929457-86-3
(2Z)2((6chloro4H13benzodioxin8yl)methylidene)6((2methylprop2en1yl)oxy)1benzofuran3(2H)one
(2Z)2((6chloro4H13benzodioxin8yl)methylidene)6(2methylprop2enoxy)1benzofuran3one
(Z)2((6chloro4Hbenzo(d)(13)dioxin8yl)methylene)6((2methylallyl)oxy)benzofuran3(2H)one
2((6CHLORO(2H4HBENZO(E)13DIOXIN8YL))METHYLENE)6(2METHYLPROP2ENYLOXY)BENZO(B)FURAN3ONE
929457863
CC(=C)COC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=CC4=C3OCOC4)Cl)O2
CC(=C)COc1ccc2c(c1)OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O
InChI=1SC21H17ClO5c112(2)92516341718(816)2719(20(17)23)713515(22)6141024112621(13)14h38H1911H22H3b197
MFCD09793441
ZINC000008991254
ZINC08991254
ZINC8991254

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Available files

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