Vitas-M small molecule compound

methyl {[(2Z)-2-(2,4-dichlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate

Catalog ID
STK923398
SMILES COC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(cc1Cl)Cl)/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 C18H12Cl2O5 MW 379.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12Cl2O5/c1-23-17(21)9-24-12-4-5-13-15(8-12)25-16(18(13)22)6-10-2-3-11(19)7-14(10)20/h2-8H,9H2,1H3/b16-6-
InChIKey
XTRKIBRFEDNBJB-SOFYXZRVSA-N
Synonyms
844830-73-5
(Z)methyl2((2(24dichlorobenzylidene)3oxo23dihydrobenzofuran6yl)oxy)acetate
844830735
COC(=O)COC1=CC2=C(C=C1)C(=O)C(=CC3=C(C=C(C=C3)Cl)Cl)O2
COC(=O)COc1ccc2c(c1)OC(=Cc1ccc(cc1Cl)Cl)C2=O
InChI=1SC18H12Cl2O5c12317(21)92412451315(812)2516(18(13)22)6102311(19)714(10)20h28H9H21H3b166
methyl(((2Z)2(24dichlorobenzylidene)3oxo23dihydro1benzofuran6yl)oxy)acetate
METHYL2(((2Z)2((24DICHLOROPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)OXY)ACETATE
METHYL2(2((24DICHLOROPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YLOXY)ACETATE
MFCD04161833
ZINC000005163650
ZINC05163650
ZINC5163650

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Available files

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