Vitas-M small molecule compound

methyl 4-[(Z)-{6-[2-(4-fluorophenyl)-2-oxoethoxy]-3-oxo-1-benzofuran-2(3H)-ylidene}methyl]benzoate

Catalog ID
STK923585
SMILES COC(=O)c1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2)OCC(=O)c1ccc(cc1)F

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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 C25H17FO6 MW 432.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17FO6/c1-30-25(29)17-4-2-15(3-5-17)12-23-24(28)20-11-10-19(13-22(20)32-23)31-14-21(27)16-6-8-18(26)9-7-16/h2-13H,14H2,1H3/b23-12-
InChIKey
HSALCVFISCQIPA-FMCGGJTJSA-N
Synonyms
845802-39-3
(Z)methyl4((6(2(4fluorophenyl)2oxoethoxy)3oxobenzofuran2(3H)ylidene)methyl)benzoate
845802393
COC(=O)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OCC(=O)C4=CC=C(C=C4)F
COC(=O)c1ccc(cc1)C=C1Oc2c(C1=O)ccc(c2)OCC(=O)c1ccc(cc1)F
InChI=1SC25H17FO6c13025(29)174215(3517)122324(28)20111019(1322(20)3223)311421(27)166818(26)9716h213H14H21H3b2312
METHYL4((6(2(4FLUOROPHENYL)2OXOETHOXY)3OXOBENZO(D)FURAN2YLIDENE)METHYL)BENZOATE
methyl4((Z)(6(2(4fluorophenyl)2oxoethoxy)3oxo1benzofuran2(3H)ylidene)methyl)benzoate
METHYL4((Z)(6(2(4FLUOROPHENYL)2OXOETHOXY)3OXO1BENZOFURAN2YLIDENE)METHYL)BENZOATE
MFCD04169901
ZINC000002417497
ZINC02417497
ZINC2417497

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Available files

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