Vitas-M small molecule compound

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

Catalog ID
STK923451
SMILES COc1cc(/C=C/2\Oc3c(C2=O)ccc(c3)OC(=O)C(C)C)cc(c1OC)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 C22H22O7 MW 398.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22O7/c1-12(2)22(24)28-14-6-7-15-16(11-14)29-17(20(15)23)8-13-9-18(25-3)21(27-5)19(10-13)26-4/h6-12H,1-5H3/b17-8-
InChIKey
OFBJXDSKTCUORF-IUXPMGMMSA-N
Synonyms
858760-45-9
((2Z)3OXO2((345TRIMETHOXYPHENYL)METHYLIDENE)1BENZOFURAN6YL)2METHYLPROPANOATE
(2Z)3oxo2(345trimethoxybenzylidene)23dihydro1benzofuran6yl2methylpropanoate
(Z)3oxo2(345trimethoxybenzylidene)23dihydrobenzofuran6ylisobutyrate
3OXO2((345TRIMETHOXYPHENYL)METHYLENE)BENZO(34B)FURAN6YL2METHYLPROPANOATE
858760459
CC(C)C(=O)OC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=C(C(=C3)OC)OC)OC)O2
COc1cc(C=C2Oc3c(C2=O)ccc(c3)OC(=O)C(C)C)cc(c1OC)OC
InChI=1SC22H22O7c112(2)22(24)2814671516(1114)2917(20(15)23)813918(253)21(275)19(1013)264h612H15H3b178
MFCD04144267
ZINC000012858145
ZINC12858145

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Available files

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