Vitas-M small molecule compound
1-(3-chloro-4-fluorophenyl)-5-oxo-4-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK782457
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1cccnc1)C(=O)CCC2)c1ccc(c(c1)Cl)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 C25H18ClFN4O MW 444.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18ClFN4O/c26-19-13-17(8-9-20(19)27)31-21-6-3-7-22(32)24(21)23(16-5-4-10-29-15-16)18(14-28)25(31)30-11-1-2-12-30/h1-2,4-5,8-13,15,23H,3,6-7H2InChIKey
KYPSPQUDWLWQKX-UHFFFAOYSA-NSynonyms
1(3chloro4fluorophenyl)5oxo4(pyridin3yl)2(1Hpyrrol1yl)145678hexahydroquinoline3carbonitrile
1(3chloro4fluorophenyl)5oxo4pyridin3yl2pyrrol1yl4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=CC(=C(C=C3)F)Cl)N4C=CC=C4)C#N)C5=CN=CC=C5)C(=O)C1
InChI=1SC25H18ClFN4Oc26191317(8920(19)27)312163722(32)24(21)23(165410291516)18(1428)25(31)3011121230h12458131523H367H2
MFCD06017623
ZINC000012360539
ZINC000012360540
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