Vitas-M small molecule compound

ethyl 2-({(2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)propanoate

Catalog ID
STK856457
SMILES CCOC(=O)C(Oc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)/C2=O)C

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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 C22H19ClO7 MW 430.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClO7/c1-3-27-22(25)12(2)29-16-4-5-17-18(9-16)30-19(20(17)24)8-13-6-15(23)7-14-10-26-11-28-21(13)14/h4-9,12H,3,10-11H2,1-2H3/b19-8-
InChIKey
WOIIBKOHLPDNCL-UWVJOHFNSA-N
Synonyms
929477-67-8
(Z)ethyl2((2((6chloro4Hbenzo(d)(13)dioxin8yl)methylene)3oxo23dihydrobenzofuran6yl)oxy)propanoate
929477678
CCOC(=O)C(C)OC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=CC4=C3OCOC4)Cl)O2
CCOC(=O)C(Oc1ccc2c(c1)OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O)C
ethyl2(((2Z)2((6chloro4H13benzodioxin8yl)methylidene)3oxo1benzofuran6yl)oxy)propanoate
ethyl2(((2Z)2((6chloro4H13benzodioxin8yl)methylidene)3oxo23dihydro1benzofuran6yl)oxy)propanoate
ETHYL2(2((6CHLORO(2H4HBENZO(E)13DIOXIN8YL))METHYLENE)3OXOBENZO(34B)FURAN6YLOXY)PROPANOATE
InChI=1SC22H19ClO7c132722(25)12(2)2916451718(916)3019(20(17)24)813615(23)7141026112821(13)14h4912H31011H212H3b198
MFCD09793145
ZINC000009053913
ZINC000009053916

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.