Vitas-M small molecule compound

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

Catalog ID
STK992372
SMILES O=C(OCc1ccccc1)COc1ccc2c(c1)O/C(=C\c1ccccc1C)/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 C25H20O5 MW 400.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20O5/c1-17-7-5-6-10-19(17)13-23-25(27)21-12-11-20(14-22(21)30-23)28-16-24(26)29-15-18-8-3-2-4-9-18/h2-14H,15-16H2,1H3/b23-13-
InChIKey
OMRNMWMWKUQQBY-QRVIBDJDSA-N
Synonyms
620548-26-7
(Z)benzyl2((2(2methylbenzylidene)3oxo23dihydrobenzofuran6yl)oxy)acetate
620548267
benzyl(((2Z)2(2methylbenzylidene)3oxo23dihydro1benzofuran6yl)oxy)acetate
BENZYL2(((2Z)2((2METHYLPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)OXY)ACETATE
CC1=CC=CC=C1C=C2C(=O)C3=C(O2)C=C(C=C3)OCC(=O)OCC4=CC=CC=C4
InChI=1SC25H20O5c1177561019(17)132325(27)21121120(1422(21)3023)281624(26)2915188324918h214H1516H21H3b2313
MFCD04161302
O=C(OCc1ccccc1)COc1ccc2c(c1)OC(=Cc1ccccc1C)C2=O
PHENYLMETHYL2(2((2METHYLPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YLOXY)ACETATE
ZINC000013681444
ZINC13681444

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Available files

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