Vitas-M small molecule compound

benzyl {[(2Z)-2-(2-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate

Catalog ID
STK992441
SMILES O=C(OCc1ccccc1)COc1ccc2c(c1)O/C(=C\c1ccccc1Br)/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 C24H17BrO5 MW 465.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17BrO5/c25-20-9-5-4-8-17(20)12-22-24(27)19-11-10-18(13-21(19)30-22)28-15-23(26)29-14-16-6-2-1-3-7-16/h1-13H,14-15H2/b22-12-
InChIKey
DNMMVLWGSXSASI-UUYOSTAYSA-N
Synonyms
620548-21-2
(Z)benzyl2((2(2bromobenzylidene)3oxo23dihydrobenzofuran6yl)oxy)acetate
620548212
benzyl(((2Z)2(2bromobenzylidene)3oxo23dihydro1benzofuran6yl)oxy)acetate
BENZYL2(((2Z)2((2BROMOPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)OXY)ACETATE
C1=CC=C(C=C1)COC(=O)COC2=CC3=C(C=C2)C(=O)C(=CC4=CC=CC=C4Br)O3
InChI=1SC24H17BrO5c2520954817(20)122224(27)19111018(1321(19)3022)281523(26)2914166213716h113H1415H2b2212
MFCD04160539
O=C(OCc1ccccc1)COc1ccc2c(c1)OC(=Cc1ccccc1Br)C2=O
PHENYLMETHYL2(2((2BROMOPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YLOXY)ACETATE
ZINC000009053255
ZINC09053255
ZINC9053255

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Available files

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