Vitas-M small molecule compound

methyl 4-({[(2Z)-3-oxo-2-(2,3,4-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl]oxy}methyl)benzoate

Catalog ID
STK924651
SMILES COC(=O)c1ccc(cc1)COc1ccc2c(c1)O/C(=C\c1ccc(c(c1OC)OC)OC)/C2=O

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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 C27H24O8 MW 476.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24O8/c1-30-21-12-9-18(25(31-2)26(21)32-3)13-23-24(28)20-11-10-19(14-22(20)35-23)34-15-16-5-7-17(8-6-16)27(29)33-4/h5-14H,15H2,1-4H3/b23-13-
InChIKey
KJAPWBXJNAZNCO-QRVIBDJDSA-N
Synonyms
622804-62-0
(Z)methyl4(((3oxo2(234trimethoxybenzylidene)23dihydrobenzofuran6yl)oxy)methyl)benzoate
622804620
COC(=O)c1ccc(cc1)COc1ccc2c(c1)OC(=Cc1ccc(c(c1OC)OC)OC)C2=O
COC1=C(C(=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OCC4=CC=C(C=C4)C(=O)OC)OC)OC
InChI=1SC27H24O8c1302112918(25(312)26(21)323)132324(28)20111019(1422(20)3523)3415165717(8616)27(29)334h514H15H214H3b2313
methyl4((((2Z)3oxo2(234trimethoxybenzylidene)23dihydro1benzofuran6yl)oxy)methyl)benzoate
METHYL4(((2Z)3OXO2((234TRIMETHOXYPHENYL)METHYLIDENE)1BENZOFURAN6YL)OXYMETHYL)BENZOATE
METHYL4((3OXO2((234TRIMETHOXYPHENYL)METHYLENE)BENZO(34B)FURAN6YLOXY)METHYL)BENZOATE
MFCD04146278
ZINC000002105506
ZINC02105506
ZINC2105506

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Available files

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