Vitas-M small molecule compound

methyl 2-{[(2Z)-2-(4-methoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}propanoate

Catalog ID
STL033395
SMILES COC(=O)C(Oc1ccc2c(c1C)O/C(=C\c1ccc(cc1)OC)/C2=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 C21H20O6 MW 368.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20O6/c1-12-17(26-13(2)21(23)25-4)10-9-16-19(22)18(27-20(12)16)11-14-5-7-15(24-3)8-6-14/h5-11,13H,1-4H3/b18-11-
InChIKey
VSSBZPALBIVFAK-WQRHYEAKSA-N
Synonyms
859663-59-5
(Z)methyl2((2(4methoxybenzylidene)7methyl3oxo23dihydrobenzofuran6yl)oxy)propanoate
859663595
CC1=C(C=CC2=C1OC(=CC3=CC=C(C=C3)OC)C2=O)OC(C)C(=O)OC
COC(=O)C(Oc1ccc2c(c1C)OC(=Cc1ccc(cc1)OC)C2=O)C
InChI=1SC21H20O6c11217(2613(2)21(23)254)1091619(22)18(2720(12)16)11145715(243)8614h51113H14H3b1811
METHYL2(((2Z)2((4METHOXYPHENYL)METHYLIDENE)7METHYL3OXO1BENZOFURAN6YL)OXY)PROPANOATE
methyl2(((2Z)2(4methoxybenzylidene)7methyl3oxo23dihydro1benzofuran6yl)oxy)propanoate
METHYL2(2((4METHOXYPHENYL)METHYLENE)7METHYL3OXOBENZO(34B)FURAN6YLOXY)PROPANOATE
MFCD06494820
ZINC000006073978
ZINC000006073994

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Available files

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