Vitas-M small molecule compound
5-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
Catalog ID
STK731908
SMILES O=c1[nH]c2NC3=C(C(c2c(=O)[nH]1)c1ccc(o1)c1cccc(c1)C(F)(F)F)C(=O)CCC3
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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 C22H16F3N3O4 MW 443.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16F3N3O4/c23-22(24,25)11-4-1-3-10(9-11)14-7-8-15(32-14)17-16-12(5-2-6-13(16)29)26-19-18(17)20(30)28-21(31)27-19/h1,3-4,7-9,17H,2,5-6H2,(H3,26,27,28,30,31)InChIKey
ALTHFZGWMKPLDM-UHFFFAOYSA-NSynonyms
5(5(3(trifluoromethyl)phenyl)furan2yl)1578910hexahydropyrimido(45b)quinoline246trione
5(5(3(trifluoromethyl)phenyl)furan2yl)58910tetrahydropyrimido(45b)quinoline246(1H3H7H)trione
C1CC2=C(C(C3=C(N2)NC(=O)NC3=O)C4=CC=C(O4)C5=CC(=CC=C5)C(F)(F)F)C(=O)C1
InChI=1SC22H16F3N3O4c2322(2425)1141310(911)147815(3214)171612(52613(16)29)261918(17)20(30)2821(31)2719h1347917H256H2(H32627283031)
MFCD05847543
O=c1(nH)c2NC3=C(C(c2c(=O)(nH)1)c1ccc(o1)c1cccc(c1)C(F)(F)F)C(=O)CCC3
ZINC000001123724
ZINC000001123725
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