Vitas-M small molecule compound

methyl 5,6-dicyano-3-[(4-methoxyphenyl)carbonyl]-1-benzofuran-2-carboxylate

Catalog ID
STL433864
SMILES COC(=O)c1oc2c(c1C(=O)c1ccc(cc1)OC)cc(c(c2)C#N)C#N

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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 C20H12N2O5 MW 360.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12N2O5/c1-25-14-5-3-11(4-6-14)18(23)17-15-7-12(9-21)13(10-22)8-16(15)27-19(17)20(24)26-2/h3-8H,1-2H3
InChIKey
SYVYLWRDFQIHCL-UHFFFAOYSA-N
Synonyms

COC1=CC=C(C=C1)C(=O)C2=C(OC3=C2C=C(C(=C3)C#N)C#N)C(=O)OC
InChI=1SC20H12N2O5c125145311(4614)18(23)1715712(921)13(1022)816(15)2719(17)20(24)262h38H12H3
methyl56dicyano3((4methoxyphenyl)carbonyl)1benzofuran2carboxylate
methyl56dicyano3(4methoxybenzoyl)1benzofuran2carboxylate
MFCD26098081
ZINC000078547015
ZINC78547015

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Available files

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