Vitas-M small molecule compound

(2Z)-2-(2,4-dichlorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate

Catalog ID
STK923593
SMILES CCOc1ccc2c(c1)c(C(=O)Oc1ccc3c(c1)O/C(=C\c1ccc(cc1Cl)Cl)/C3=O)c(o2)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 C27H18Cl2O6 MW 509.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18Cl2O6/c1-3-32-17-7-9-22-20(12-17)25(14(2)33-22)27(31)34-18-6-8-19-23(13-18)35-24(26(19)30)10-15-4-5-16(28)11-21(15)29/h4-13H,3H2,1-2H3/b24-10-
InChIKey
FKDFQFBIWIJFHQ-VROXFSQNSA-N
Synonyms
847046-45-1
((2Z)2((24DICHLOROPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)5ETHOXY2METHYL1BENZOFURAN3CARBOXYLATE
(2Z)2(24dichlorobenzylidene)3oxo23dihydro1benzofuran6yl5ethoxy2methyl1benzofuran3carboxylate
(Z)2(24dichlorobenzylidene)3oxo23dihydrobenzofuran6yl5ethoxy2methylbenzofuran3carboxylate
2((24DICHLOROPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YL5ETHOXY2METHYLBENZO(B)FURAN3CARBOXYLATE
847046451
CCOC1=CC2=C(C=C1)OC(=C2C(=O)OC3=CC4=C(C=C3)C(=O)C(=CC5=C(C=C(C=C5)Cl)Cl)O4)C
CCOc1ccc2c(c1)c(C(=O)Oc1ccc3c(c1)OC(=Cc1ccc(cc1Cl)Cl)C3=O)c(o2)C
InChI=1SC27H18Cl2O6c133217792220(1217)25(14(2)3322)27(31)3418681923(1318)3524(26(19)30)10154516(28)1121(15)29h413H3H212H3b2410
MFCD04182191
ZINC000011868693
ZINC11868693

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Available files

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