Vitas-M small molecule compound
diethyl 2-amino-5-oxo-7-phenyl-4-(pyridin-3-yl)-1-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK682832
SMILES CCOC(=O)C1C(CC2=C(C1=O)C(c1cccnc1)C(=C(N2c1ccc(cc1)C(F)(F)F)N)C(=O)OCC)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 C33H30F3N3O5 MW 605.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30F3N3O5/c1-3-43-31(41)26-23(19-9-6-5-7-10-19)17-24-27(29(26)40)25(20-11-8-16-38-18-20)28(32(42)44-4-2)30(37)39(24)22-14-12-21(13-15-22)33(34,35)36/h5-16,18,23,25-26H,3-4,17,37H2,1-2H3InChIKey
JJFWISUYQXZGBM-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2C3=CC=C(C=C3)C(F)(F)F)N)C(=O)OCC)C4=CN=CC=C4)C5=CC=CC=C5
diethyl2amino5oxo7phenyl4(pyridin3yl)1(4(trifluoromethyl)phenyl)145678hexahydroquinoline36dicarboxylate
diethyl2amino5oxo7phenyl4pyridin3yl1(4(trifluoromethyl)phenyl)4678tetrahydroquinoline36dicarboxylate
InChI=1SC33H30F3N3O5c134331(41)2623(1996571019)172427(29(26)40)25(2011816381820)28(32(42)4442)30(37)39(24)22141221(131522)33(3435)36h51618232526H341737H212H3
MFCD04060936
ZINC000100151887
ZINC000103008659
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