Vitas-M small molecule compound
dimethyl 2-amino-4-(4-fluorophenyl)-7-(4-methoxyphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK683935
SMILES COC(=O)C1C(CC2=C(C1=O)C(c1ccc(cc1)F)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 C33H28F4N2O6 MW 624.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H28F4N2O6/c1-43-22-13-9-17(10-14-22)23-16-24-27(29(40)26(23)31(41)44-2)25(18-7-11-20(34)12-8-18)28(32(42)45-3)30(38)39(24)21-6-4-5-19(15-21)33(35,36)37/h4-15,23,25-26H,16,38H2,1-3H3InChIKey
SFBIGGSKRXCZBG-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=C(C=C5)F)C(=O)C2C(=O)OC
dimethyl2amino4(4fluorophenyl)7(4methoxyphenyl)5oxo1(3(trifluoromethyl)phenyl)145678hexahydroquinoline36dicarboxylate
dimethyl2amino4(4fluorophenyl)7(4methoxyphenyl)5oxo1(3(trifluoromethyl)phenyl)4678tetrahydroquinoline36dicarboxylate
InChI=1SC33H28F4N2O6c1432213917(101422)23162427(29(40)26(23)31(41)442)25(1871120(34)12818)28(32(42)453)30(38)39(24)2164519(1521)33(3536)37h415232526H1638H213H3
MFCD05259120
ZINC000100162438
ZINC000100162454
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