Vitas-M small molecule compound
diethyl 2-amino-1-(3,5-dichlorophenyl)-4-(2-fluorophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK684737
SMILES CCOC(=O)C1C(=O)C2=C(CC1c1cccs1)N(c1cc(Cl)cc(c1)Cl)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 C31H27Cl2FN2O5S MW 629.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27Cl2FN2O5S/c1-3-40-30(38)25-20(23-10-7-11-42-23)15-22-26(28(25)37)24(19-8-5-6-9-21(19)34)27(31(39)41-4-2)29(35)36(22)18-13-16(32)12-17(33)14-18/h5-14,20,24-25H,3-4,15,35H2,1-2H3InChIKey
QSTAMEPSOLLUIP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2C3=CC(=CC(=C3)Cl)Cl)N)C(=O)OCC)C4=CC=CC=C4F)C5=CC=CS5
diethyl2amino1(35dichlorophenyl)4(2fluorophenyl)5oxo7(thiophen2yl)145678hexahydroquinoline36dicarboxylate
diethyl2amino1(35dichlorophenyl)4(2fluorophenyl)5oxo7thiophen2yl4678tetrahydroquinoline36dicarboxylate
InChI=1SC31H27Cl2FN2O5Sc134030(38)2520(23107114223)152226(28(25)37)24(19856921(19)34)27(31(39)4142)29(35)36(22)181316(32)1217(33)1418h514202425H341535H212H3
MFCD05855945
ZINC000150385497
ZINC000150663304
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