Vitas-M small molecule compound
dimethyl 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-7-phenyl-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK685384
SMILES COC(=O)C1C(CC2=C(C1=O)C(c1cccs1)C(=C(N2c1cc(ccc1Cl)C(F)(F)F)N)C(=O)OC)c1ccccc1
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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 C30H24ClF3N2O5S MW 617.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24ClF3N2O5S/c1-40-28(38)22-17(15-7-4-3-5-8-15)14-20-23(26(22)37)24(21-9-6-12-42-21)25(29(39)41-2)27(35)36(20)19-13-16(30(32,33)34)10-11-18(19)31/h3-13,17,22,24H,14,35H2,1-2H3InChIKey
ZUGRYEGIWRCDAW-UHFFFAOYSA-NSynonyms
COC(=O)C1C(CC2=C(C1=O)C(C(=C(N2C3=C(C=CC(=C3)C(F)(F)F)Cl)N)C(=O)OC)C4=CC=CS4)C5=CC=CC=C5
dimethyl2amino1(2chloro5(trifluoromethyl)phenyl)5oxo7phenyl4(thiophen2yl)145678hexahydroquinoline36dicarboxylate
dimethyl2amino1(2chloro5(trifluoromethyl)phenyl)5oxo7phenyl4thiophen2yl4678tetrahydroquinoline36dicarboxylate
InChI=1SC30H24ClF3N2O5Sc14028(38)2217(157435815)142023(26(22)37)24(2196124221)25(29(39)412)27(35)36(20)191316(30(3233)34)101118(19)31h313172224H1435H212H3
MFCD05858490
ZINC000100179270
ZINC000103017063
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