Vitas-M small molecule compound

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

Catalog ID
STK992512
SMILES COC(=O)C(Oc1ccc2c(c1)O/C(=C\c1ccc(c(c1)Cl)Cl)/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 C19H14Cl2O5 MW 393.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14Cl2O5/c1-10(19(23)24-2)25-12-4-5-13-16(9-12)26-17(18(13)22)8-11-3-6-14(20)15(21)7-11/h3-10H,1-2H3/b17-8-
InChIKey
XTACPMJBYYAWPB-IUXPMGMMSA-N
Synonyms
620546-43-2
(Z)methyl2((2(34dichlorobenzylidene)3oxo23dihydrobenzofuran6yl)oxy)propanoate
620546432
CC(C(=O)OC)OC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=C(C=C3)Cl)Cl)O2
COC(=O)C(Oc1ccc2c(c1)OC(=Cc1ccc(c(c1)Cl)Cl)C2=O)C
InChI=1SC19H14Cl2O5c110(19(23)242)2512451316(912)2617(18(13)22)8113614(20)15(21)711h310H12H3b178
METHYL2(((2Z)2((34DICHLOROPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)OXY)PROPANOATE
methyl2(((2Z)2(34dichlorobenzylidene)3oxo23dihydro1benzofuran6yl)oxy)propanoate
METHYL2(2((34DICHLOROPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YLOXY)PROPANOATE
MFCD04156102
ZINC000005997771
ZINC000005998942

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Available files

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