Vitas-M small molecule compound

8-(thiophen-2-yl)-5-[4-(trifluoromethoxy)phenyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione

Catalog ID
STK335894
SMILES O=c1[nH]c2NC3=C(C(c2c(=O)[nH]1)c1ccc(cc1)OC(F)(F)F)C(=O)CC(C3)c1cccs1

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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 C22H16F3N3O4S MW 475.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16F3N3O4S/c23-22(24,25)32-12-5-3-10(4-6-12)16-17-13(26-19-18(16)20(30)28-21(31)27-19)8-11(9-14(17)29)15-2-1-7-33-15/h1-7,11,16H,8-9H2,(H3,26,27,28,30,31)
InChIKey
MKBYGLGQXHYGKT-UHFFFAOYSA-N
Synonyms

8(thiophen2yl)5(4(trifluoromethoxy)phenyl)58910tetrahydropyrimido(45b)quinoline246(1H3H7H)trione
8thiophen2yl5(4(trifluoromethoxy)phenyl)1578910hexahydropyrimido(45b)quinoline246trione
C1C(CC(=O)C2=C1NC3=C(C2C4=CC=C(C=C4)OC(F)(F)F)C(=O)NC(=O)N3)C5=CC=CS5
InChI=1SC22H16F3N3O4Sc2322(2425)32125310(4612)161713(261918(16)20(30)2821(31)2719)811(914(17)29)152173315h171116H89H2(H32627283031)
MFCD09964325
O=c1(nH)c2NC3=C(C(c2c(=O)(nH)1)c1ccc(cc1)OC(F)(F)F)C(=O)CC(C3)c1cccs1
ZINC000018200282
ZINC000018200286

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Available files

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