Vitas-M small molecule compound
diethyl 2-amino-4-(2-fluorophenyl)-5-oxo-1-phenyl-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK684883
SMILES CCOC(=O)C1C(=O)C2=C(CC1c1cccs1)N(c1ccccc1)C(=C(C2c1ccccc1F)C(=O)OCC)N
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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 C31H29FN2O5S MW 560.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29FN2O5S/c1-3-38-30(36)25-20(23-15-10-16-40-23)17-22-26(28(25)35)24(19-13-8-9-14-21(19)32)27(31(37)39-4-2)29(33)34(22)18-11-6-5-7-12-18/h5-16,20,24-25H,3-4,17,33H2,1-2H3InChIKey
AOPGMLGGPIJPBV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2C3=CC=CC=C3)N)C(=O)OCC)C4=CC=CC=C4F)C5=CC=CS5
diethyl2amino4(2fluorophenyl)5oxo1phenyl7(thiophen2yl)145678hexahydroquinoline36dicarboxylate
diethyl2amino4(2fluorophenyl)5oxo1phenyl7thiophen2yl4678tetrahydroquinoline36dicarboxylate
InChI=1SC31H29FN2O5Sc133830(36)2520(231510164023)172226(28(25)35)24(1913891421(19)32)27(31(37)3942)29(33)34(22)18116571218h516202425H341733H212H3
MFCD05856453
ZINC000100172845
ZINC000103015316
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