Vitas-M small molecule compound
5-oxo-4-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK781542
SMILES N#CC1=C(n2cccc2)N(C2=C(C1c1cccnc1)C(=O)CCC2)c1cccc(c1)C(F)(F)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 C26H19F3N4O MW 460.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19F3N4O/c27-26(28,29)18-7-3-8-19(14-18)33-21-9-4-10-22(34)24(21)23(17-6-5-11-31-16-17)20(15-30)25(33)32-12-1-2-13-32/h1-3,5-8,11-14,16,23H,4,9-10H2InChIKey
GQAGEGLECUPLDJ-UHFFFAOYSA-NSynonyms
5oxo4(pyridin3yl)2(1Hpyrrol1yl)1(3(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
5oxo4pyridin3yl2pyrrol1yl1(3(trifluoromethyl)phenyl)4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=CC=CC(=C3)C(F)(F)F)N4C=CC=C4)C#N)C5=CN=CC=C5)C(=O)C1
InChI=1SC26H19F3N4Oc2726(2829)1873819(1418)3321941022(34)24(21)23(176511311617)20(1530)25(33)3212121332h135811141623H4910H2
MFCD06015265
ZINC000012360559
ZINC000012360560
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