Vitas-M small molecule compound

(2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylbenzoate

Catalog ID
STK923738
SMILES COc1cc(ccc1OC)/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/c1-15-6-4-5-7-18(15)25(27)30-17-9-10-19-21(14-17)31-23(24(19)26)13-16-8-11-20(28-2)22(12-16)29-3/h4-14H,1-3H3/b23-13-
InChIKey
QUXCBHQRUHGFNO-QRVIBDJDSA-N
Synonyms
858764-80-4
((2Z)2((34DIMETHOXYPHENYL)METHYLIDENE)3OXO1BENZOFURAN6YL)2METHYLBENZOATE
(2Z)2(34dimethoxybenzylidene)3oxo23dihydro1benzofuran6yl2methylbenzoate
(Z)2(34dimethoxybenzylidene)3oxo23dihydrobenzofuran6yl2methylbenzoate
2((34DIMETHOXYPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YL2METHYLBENZOATE
858764804
CC1=CC=CC=C1C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC(=C(C=C4)OC)OC)O3
COc1cc(ccc1OC)C=C1Oc2c(C1=O)ccc(c2)OC(=O)c1ccccc1C
InChI=1SC25H20O6c115645718(15)25(27)30179101921(1417)3123(24(19)26)131681120(282)22(1216)293h414H13H3b2313
MFCD04143179
ZINC000012662742
ZINC12662742

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Available files

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