Vitas-M small molecule compound

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

Catalog ID
STK924606
SMILES COc1ccc(cc1/C=C/1\Oc2c(C1=O)ccc(c2)OCC(=O)OC(C)(C)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 C22H21BrO6 MW 461.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrO6/c1-22(2,3)29-20(24)12-27-15-6-7-16-18(11-15)28-19(21(16)25)10-13-9-14(23)5-8-17(13)26-4/h5-11H,12H2,1-4H3/b19-10-
InChIKey
YJQPBHLADTWYDH-GRSHGNNSSA-N
Synonyms
620547-95-7
(Z)tertbutyl2((2(5bromo2methoxybenzylidene)3oxo23dihydrobenzofuran6yl)oxy)acetate
620547957
CC(C)(C)OC(=O)COC1=CC2=C(C=C1)C(=O)C(=CC3=C(C=CC(=C3)Br)OC)O2
COc1ccc(cc1C=C1Oc2c(C1=O)ccc(c2)OCC(=O)OC(C)(C)C)Br
InChI=1SC22H21BrO6c122(23)2920(24)122715671618(1115)2819(21(16)25)1013914(23)5817(13)264h511H12H214H3b1910
MFCD04155500
tertbutyl(((2Z)2(5bromo2methoxybenzylidene)3oxo23dihydro1benzofuran6yl)oxy)acetate
TERTBUTYL2(((2Z)2((5BROMO2METHOXYPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)OXY)ACETATE
TERTBUTYL2(2((5BROMO2METHOXYPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YLOXY)ACETATE
ZINC000009191920
ZINC09191920
ZINC9191920

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Available files

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