Vitas-M small molecule compound

ethyl {[(2Z)-2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}(phenyl)acetate

Catalog ID
STK924631
SMILES CCOC(=O)C(c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1cc(Br)ccc1OC)/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 C26H21BrO6 MW 509.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21BrO6/c1-3-31-26(29)25(16-7-5-4-6-8-16)32-19-10-11-20-22(15-19)33-23(24(20)28)14-17-13-18(27)9-12-21(17)30-2/h4-15,25H,3H2,1-2H3/b23-14-
InChIKey
GUDSETWNCIVGQT-UCQKPKSFSA-N
Synonyms
620546-06-7
(Z)ethyl2((2(5bromo2methoxybenzylidene)3oxo23dihydrobenzofuran6yl)oxy)2phenylacetate
620546067
CCOC(=O)C(C1=CC=CC=C1)OC2=CC3=C(C=C2)C(=O)C(=CC4=C(C=CC(=C4)Br)OC)O3
CCOC(=O)C(c1ccccc1)Oc1ccc2c(c1)OC(=Cc1cc(Br)ccc1OC)C2=O
ethyl(((2Z)2(5bromo2methoxybenzylidene)3oxo23dihydro1benzofuran6yl)oxy)(phenyl)acetate
ETHYL2(((2Z)2((5BROMO2METHOXYPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)OXY)2PHENYLACETATE
ETHYL2(2((5BROMO2METHOXYPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YLOXY)2PHENYLACETATE
InChI=1SC26H21BrO6c133126(29)25(167546816)321910112022(1519)3323(24(20)28)14171318(27)91221(17)302h41525H3H212H3b2314
MFCD04171564
ZINC000009282107
ZINC000011869847

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Available files

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