Vitas-M small molecule compound

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

Catalog ID
STK618023
SMILES COc1ccc(cc1/C=C/1\Oc2c(C1=O)ccc(c2)OC(C(=O)O)C)Br

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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 C19H15BrO6 MW 419.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15BrO6/c1-10(19(22)23)25-13-4-5-14-16(9-13)26-17(18(14)21)8-11-7-12(20)3-6-15(11)24-2/h3-10H,1-2H3,(H,22,23)/b17-8-
InChIKey
BJKAVYPJGPMFSP-IUXPMGMMSA-N
Synonyms
890632-76-5
(Z)2((2(5bromo2methoxybenzylidene)3oxo23dihydrobenzofuran6yl)oxy)propanoicacid
2(((2Z)2((5bromo2methoxyphenyl)methylidene)3oxo1benzofuran6yl)oxy)propanoicacid
2(((2Z)2(5bromo2methoxybenzylidene)3oxo23dihydro1benzofuran6yl)oxy)propanoicacid
2(2((5BROMO2METHOXYPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YLOXY)PROPANOICACID
890632765
CC(C(=O)O)OC1=CC2=C(C=C1)C(=O)C(=CC3=C(C=CC(=C3)Br)OC)O2
COc1ccc(cc1C=C1Oc2c(C1=O)ccc(c2)OC(C(=O)O)C)Br
InChI=1SC19H15BrO6c110(19(22)23)2513451416(913)2617(18(14)21)811712(20)3615(11)242h310H12H3(H2223)b178
MFCD07808370
ZINC000009420294
ZINC000009420295

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Available files

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