Vitas-M small molecule compound

(2Z)-2-(2,5-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzoate

Catalog ID
STK923804
SMILES COc1ccc(cc1/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)c1ccc(cc1)C)OC

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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 C25H20O6 MW 416.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20O6/c1-15-4-6-16(7-5-15)25(27)30-19-8-10-20-22(14-19)31-23(24(20)26)13-17-12-18(28-2)9-11-21(17)29-3/h4-14H,1-3H3/b23-13-
InChIKey
DFUIKGZXTFJRQR-QRVIBDJDSA-N
Synonyms
859138-34-4
((2Z)2((25DIMETHOXYPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)4METHYLBENZOATE
(2Z)2(25dimethoxybenzylidene)3oxo23dihydro1benzofuran6yl4methylbenzoate
(Z)2(25dimethoxybenzylidene)3oxo23dihydrobenzofuran6yl4methylbenzoate
2((25DIMETHOXYPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YL4METHYLBENZOATE
859138344
CC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=C(C=CC(=C4)OC)OC)O3
COc1ccc(cc1C=C1Oc2c(C1=O)ccc(c2)OC(=O)c1ccc(cc1)C)OC
InChI=1SC25H20O6c1154616(7515)25(27)30198102022(1419)3123(24(20)26)13171218(282)91121(17)293h414H13H3b2313
MFCD04146667
ZINC000012862403
ZINC12862403

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Available files

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