Vitas-M small molecule compound
diethyl 2-amino-4-(2-fluorophenyl)-1-(4-fluorophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK684972
SMILES CCOC(=O)C1=C(N)N(c2ccc(cc2)F)C2=C(C1c1ccccc1F)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 C31H28F2N2O5S MW 578.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28F2N2O5S/c1-3-39-30(37)25-20(23-10-7-15-41-23)16-22-26(28(25)36)24(19-8-5-6-9-21(19)33)27(31(38)40-4-2)29(34)35(22)18-13-11-17(32)12-14-18/h5-15,20,24-25H,3-4,16,34H2,1-2H3InChIKey
BLAGDICEMAUITJ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2C3=CC=C(C=C3)F)N)C(=O)OCC)C4=CC=CC=C4F)C5=CC=CS5
diethyl2amino4(2fluorophenyl)1(4fluorophenyl)5oxo7(thiophen2yl)145678hexahydroquinoline36dicarboxylate
diethyl2amino4(2fluorophenyl)1(4fluorophenyl)5oxo7thiophen2yl4678tetrahydroquinoline36dicarboxylate
InChI=1SC31H28F2N2O5Sc133930(37)2520(23107154123)162226(28(25)36)24(19856921(19)33)27(31(38)4042)29(34)35(22)18131117(32)121418h515202425H341634H212H3
MFCD05856759
ZINC000100173921
ZINC000230034695
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