Vitas-M small molecule compound

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

Catalog ID
STK924224
SMILES COc1c(cccc1OC)/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)c1ccccc1C

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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/c1-15-7-4-5-9-18(15)25(27)30-17-11-12-19-21(14-17)31-22(23(19)26)13-16-8-6-10-20(28-2)24(16)29-3/h4-14H,1-3H3/b22-13-
InChIKey
HPUBVNARHQOEBN-XKZIYDEJSA-N
Synonyms
622363-98-8
((2Z)2((23DIMETHOXYPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)2METHYLBENZOATE
(2Z)2(23dimethoxybenzylidene)3oxo23dihydro1benzofuran6yl2methylbenzoate
(Z)2(23dimethoxybenzylidene)3oxo23dihydrobenzofuran6yl2methylbenzoate
2((23DIMETHOXYPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YL2METHYLBENZOATE
622363988
CC1=CC=CC=C1C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=C(C(=CC=C4)OC)OC)O3
COc1c(cccc1OC)C=C1Oc2c(C1=O)ccc(c2)OC(=O)c1ccccc1C
InChI=1SC25H20O6c115745918(15)25(27)301711121921(1417)3122(23(19)26)1316861020(282)24(16)293h414H13H3b2213
MFCD04143406
ZINC000012662819
ZINC12662819

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Available files

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