Vitas-M small molecule compound
3-[(4-methylphenyl)carbonyl]-2-[(1E,3E)-4-phenylbuta-1,3-dien-1-yl]-1-benzofuran-5,6-dicarbonitrile
Catalog ID
STL435610
SMILES N#Cc1cc2c(cc1C#N)oc(c2C(=O)c1ccc(cc1)C)/C=C/C=C/c1ccccc1
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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 C28H18N2O2 MW 414.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H18N2O2/c1-19-11-13-21(14-12-19)28(31)27-24-15-22(17-29)23(18-30)16-26(24)32-25(27)10-6-5-9-20-7-3-2-4-8-20/h2-16H,1H3/b9-5+,10-6+InChIKey
FXEJVCPLWYQSKR-NXZHAISVSA-NSynonyms
3((4methylphenyl)carbonyl)2((1E3E)4phenylbuta13dien1yl)1benzofuran56dicarbonitrile
3(4methylbenzoyl)2((1E3E)4phenylbuta13dienyl)1benzofuran56dicarbonitrile
CC1=CC=C(C=C1)C(=O)C2=C(OC3=C2C=C(C(=C3)C#N)C#N)C=CC=CC4=CC=CC=C4
InChI=1SC28H18N2O2c119111321(141219)28(31)27241522(1729)23(1830)1626(24)3225(27)10659207324820h216H1H3b95+106+
MFCD25975690
N#Cc1cc2c(cc1C#N)oc(c2C(=O)c1ccc(cc1)C)C=CC=Cc1ccccc1
ZINC000066089284
ZINC66089284
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