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 2-methylpropanoate

Catalog ID
STK629679
SMILES O=C(C(C)C)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 C21H17ClO6 MW 400.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClO6/c1-11(2)21(24)27-15-3-4-16-17(8-15)28-18(19(16)23)7-12-5-14(22)6-13-9-25-10-26-20(12)13/h3-8,11H,9-10H2,1-2H3/b18-7-
InChIKey
ZYLHUMFTJJBCNE-WSVATBPTSA-N
Synonyms
929402-35-7
((2Z)2((6chloro4H13benzodioxin8yl)methylidene)3oxo1benzofuran6yl)2methylpropanoate
(2Z)2((6chloro4H13benzodioxin8yl)methylidene)3oxo23dihydro1benzofuran6yl2methylpropanoate
(Z)2((6chloro4Hbenzo(d)(13)dioxin8yl)methylene)3oxo23dihydrobenzofuran6ylisobutyrate
2((6CHLORO(2H4HBENZO(E)13DIOXAN8YL))METHYLENE)3OXOBENZO(34B)FURAN6YL2METHYLPROPANOATE
929402357
CC(C)C(=O)OC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=CC4=C3OCOC4)Cl)O2
InChI=1SC21H17ClO6c111(2)21(24)2715341617(815)2818(19(16)23)712514(22)613925102620(12)13h3811H910H212H3b187
MFCD09845225
O=C(C(C)C)Oc1ccc2c(c1)OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O
ZINC000009486076
ZINC09486076
ZINC9486076

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Available files

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