Vitas-M small molecule compound
dimethyl 2-amino-7-(4-methoxyphenyl)-5-oxo-4-(thiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK684933
SMILES COC(=O)C1C(CC2=C(C1=O)C(c1cccs1)C(=C(N2c1cccc(c1)C(F)(F)F)N)C(=O)OC)c1ccc(cc1)OC
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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 C31H27F3N2O6S MW 612.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27F3N2O6S/c1-40-19-11-9-16(10-12-19)20-15-21-24(27(37)23(20)29(38)41-2)25(22-8-5-13-43-22)26(30(39)42-3)28(35)36(21)18-7-4-6-17(14-18)31(32,33)34/h4-14,20,23,25H,15,35H2,1-3H3InChIKey
MZQITWVNWNYJCH-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)C2CC3=C(C(C(=C(N3C4=CC=CC(=C4)C(F)(F)F)N)C(=O)OC)C5=CC=CS5)C(=O)C2C(=O)OC
dimethyl2amino7(4methoxyphenyl)5oxo4(thiophen2yl)1(3(trifluoromethyl)phenyl)145678hexahydroquinoline36dicarboxylate
dimethyl2amino7(4methoxyphenyl)5oxo4thiophen2yl1(3(trifluoromethyl)phenyl)4678tetrahydroquinoline36dicarboxylate
InChI=1SC31H27F3N2O6Sc1401911916(101219)20152124(27(37)23(20)29(38)412)25(2285134322)26(30(39)423)28(35)36(21)1874617(1418)31(3233)34h414202325H1535H213H3
MFCD05856594
ZINC000100173508
ZINC000100173516
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