Vitas-M small molecule compound

benzyl {[(2Z)-2-(4-ethylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate

Catalog ID
STK992444
SMILES CCc1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2)OCC(=O)OCc1ccccc1

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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 C26H22O5 MW 414.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22O5/c1-2-18-8-10-19(11-9-18)14-24-26(28)22-13-12-21(15-23(22)31-24)29-17-25(27)30-16-20-6-4-3-5-7-20/h3-15H,2,16-17H2,1H3/b24-14-
InChIKey
PXAXEKGKGNASCA-OYKKKHCWSA-N
Synonyms
620548-28-9
(Z)benzyl2((2(4ethylbenzylidene)3oxo23dihydrobenzofuran6yl)oxy)acetate
620548289
benzyl(((2Z)2(4ethylbenzylidene)3oxo23dihydro1benzofuran6yl)oxy)acetate
BENZYL2(((2Z)2((4ETHYLPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)OXY)ACETATE
CCC1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OCC(=O)OCC4=CC=CC=C4
CCc1ccc(cc1)C=C1Oc2c(C1=O)ccc(c2)OCC(=O)OCc1ccccc1
InChI=1SC26H22O5c121881019(11918)142426(28)22131221(1523(22)3124)291725(27)3016206435720h315H21617H21H3b2414
MFCD04193048
PHENYLMETHYL2(2((4ETHYLPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YLOXY)ACETATE
ZINC000013680820
ZINC13680820

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Available files

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