Vitas-M small molecule compound

(2Z)-4-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl acetate

Catalog ID
STK925288
SMILES COc1c(OC)cc(cc1OC)/C=C/1\Oc2c(C1=O)c(C)cc(c2)OC(=O)C

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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 C21H20O7 MW 384.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20O7/c1-11-6-14(27-12(2)22)10-15-19(11)20(23)16(28-15)7-13-8-17(24-3)21(26-5)18(9-13)25-4/h6-10H,1-5H3/b16-7-
InChIKey
SGKDGCNJIDYBQV-APSNUPSMSA-N
Synonyms
904501-66-2
((2Z)4METHYL3OXO2((345TRIMETHOXYPHENYL)METHYLIDENE)1BENZOFURAN6YL)ACETATE
(2Z)4methyl3oxo2(345trimethoxybenzylidene)23dihydro1benzofuran6ylacetate
(Z)4methyl3oxo2(345trimethoxybenzylidene)23dihydrobenzofuran6ylacetate
4METHYL3OXO2((345TRIMETHOXYPHENYL)METHYLENE)BENZO(34B)FURAN6YLACETATE
904501662
CC1=CC(=CC2=C1C(=O)C(=CC3=CC(=C(C(=C3)OC)OC)OC)O2)OC(=O)C
COc1c(OC)cc(cc1OC)C=C1Oc2c(C1=O)c(C)cc(c2)OC(=O)C
InChI=1SC21H20O7c111614(2712(2)22)101519(11)20(23)16(2815)713817(243)21(265)18(913)254h610H15H3b167
MFCD08283219
ZINC000006624044
ZINC06624044
ZINC6624044

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Available files

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