Vitas-M small molecule compound

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

Catalog ID
STK923463
SMILES COc1cc(ccc1OC)/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)C(C)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 C21H20O6 MW 368.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20O6/c1-12(2)21(23)26-14-6-7-15-17(11-14)27-19(20(15)22)10-13-5-8-16(24-3)18(9-13)25-4/h5-12H,1-4H3/b19-10-
InChIKey
MUCANVKTNMRAAI-GRSHGNNSSA-N
Synonyms
858760-59-5
((2Z)2((34DIMETHOXYPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)2METHYLPROPANOATE
(2Z)2(34dimethoxybenzylidene)3oxo23dihydro1benzofuran6yl2methylpropanoate
(Z)2(34dimethoxybenzylidene)3oxo23dihydrobenzofuran6ylisobutyrate
2((34DIMETHOXYPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YL2METHYLPROPANOATE
858760595
CC(C)C(=O)OC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=C(C=C3)OC)OC)O2
COc1cc(ccc1OC)C=C1Oc2c(C1=O)ccc(c2)OC(=O)C(C)C
InChI=1SC21H20O6c112(2)21(23)2614671517(1114)2719(20(15)22)10135816(243)18(913)254h512H14H3b1910
MFCD04143494
ZINC000012662835
ZINC12662835

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Available files

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