Vitas-M small molecule compound
diethyl 2-amino-4-(4-fluorophenyl)-5-oxo-7-(thiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK870351
SMILES CCOC(=O)C1=C(N)N(c2cccc(c2)C(F)(F)F)C2=C(C1c1ccc(cc1)F)C(=O)C(C(C2)c1cccs1)C(=O)OCC
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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 C32H28F4N2O5S MW 628.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28F4N2O5S/c1-3-42-30(40)25-21(23-9-6-14-44-23)16-22-26(28(25)39)24(17-10-12-19(33)13-11-17)27(31(41)43-4-2)29(37)38(22)20-8-5-7-18(15-20)32(34,35)36/h5-15,21,24-25H,3-4,16,37H2,1-2H3InChIKey
LTYHQCANXYAGKS-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2C3=CC=CC(=C3)C(F)(F)F)N)C(=O)OCC)C4=CC=C(C=C4)F)C5=CC=CS5
diethyl2amino4(4fluorophenyl)5oxo7(thiophen2yl)1(3(trifluoromethyl)phenyl)145678hexahydroquinoline36dicarboxylate
diethyl2amino4(4fluorophenyl)5oxo7thiophen2yl1(3(trifluoromethyl)phenyl)4678tetrahydroquinoline36dicarboxylate
InChI=1SC32H28F4N2O5Sc134230(40)2521(2396144423)162226(28(25)39)24(17101219(33)131117)27(31(41)4342)29(37)38(22)2085718(1520)32(3435)36h515212425H341637H212H3
MFCD18170080
ZINC000150387447
ZINC000230083589
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