Vitas-M small molecule compound
3-[(4-methylphenyl)carbonyl]-2-(2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidin-5-yl)-1-benzofuran-5,6-dicarbonitrile
Catalog ID
STL435608
SMILES N#Cc1cc2c(cc1C#N)oc(c2C(=O)c1ccc(cc1)C)C1=CNC(=O)NC1c1ccccc1
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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 C28H18N4O3 MW 458.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H18N4O3/c1-16-7-9-18(10-8-16)26(33)24-21-11-19(13-29)20(14-30)12-23(21)35-27(24)22-15-31-28(34)32-25(22)17-5-3-2-4-6-17/h2-12,15,25H,1H3,(H2,31,32,34)InChIKey
WOCNPSZKWZGJEU-UHFFFAOYSA-NSynonyms
3((4methylphenyl)carbonyl)2(2oxo4phenyl1234tetrahydropyrimidin5yl)1benzofuran56dicarbonitrile
3(4methylbenzoyl)2(2oxo4phenyl34dihydro1Hpyrimidin5yl)1benzofuran56dicarbonitrile
CC1=CC=C(C=C1)C(=O)C2=C(OC3=C2C=C(C(=C3)C#N)C#N)C4=CNC(=O)NC4C5=CC=CC=C5
InChI=1SC28H18N4O3c1167918(10816)26(33)24211119(1329)20(1430)1223(21)3527(24)22153128(34)3225(22)175324617h2121525H1H3(H2313234)
MFCD25975687
ZINC000066089278
ZINC000066089279
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