Vitas-M small molecule compound

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

Catalog ID
STK924583
SMILES COC(=O)C(Oc1ccc2c(c1)O/C(=C\c1ccc(c(c1OC)OC)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 C22H22O8 MW 414.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22O8/c1-12(22(24)28-5)29-14-7-8-15-17(11-14)30-18(19(15)23)10-13-6-9-16(25-2)21(27-4)20(13)26-3/h6-12H,1-5H3/b18-10-
InChIKey
LPNODYFJFWBEKO-ZDLGFXPLSA-N
Synonyms
620546-45-4
(Z)methyl2((3oxo2(234trimethoxybenzylidene)23dihydrobenzofuran6yl)oxy)propanoate
620546454
CC(C(=O)OC)OC1=CC2=C(C=C1)C(=O)C(=CC3=C(C(=C(C=C3)OC)OC)OC)O2
COC(=O)C(Oc1ccc2c(c1)OC(=Cc1ccc(c(c1OC)OC)OC)C2=O)C
InChI=1SC22H22O8c112(22(24)285)2914781517(1114)3018(19(15)23)10136916(252)21(274)20(13)263h612H15H3b1810
METHYL2(((2Z)3OXO2((234TRIMETHOXYPHENYL)METHYLIDENE)1BENZOFURAN6YL)OXY)PROPANOATE
methyl2(((2Z)3oxo2(234trimethoxybenzylidene)23dihydro1benzofuran6yl)oxy)propanoate
METHYL2(3OXO2((234TRIMETHOXYPHENYL)METHYLENE)BENZO(34B)FURAN6YLOXY)PROPANOATE
MFCD04145190
ZINC000006166300
ZINC000006166675

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Available files

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