Vitas-M small molecule compound

methyl 2-amino-4-(4-chlorophenyl)-1-(2-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK673941
SMILES COC(=O)C1=C(N)N(C2=C(C1c1ccc(cc1)Cl)C(=O)CCC2)c1ccccc1F

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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 C23H20ClFN2O3 MW 426.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClFN2O3/c1-30-23(29)21-19(13-9-11-14(24)12-10-13)20-17(7-4-8-18(20)28)27(22(21)26)16-6-3-2-5-15(16)25/h2-3,5-6,9-12,19H,4,7-8,26H2,1H3
InChIKey
SLOVCUSGJFZOSO-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(N(C2=C(C1C3=CC=C(C=C3)Cl)C(=O)CCC2)C4=CC=CC=C4F)N
InChI=1SC23H20ClFN2O3c13023(29)2119(1391114(24)121013)2017(74818(20)28)27(22(21)26)16632515(16)25h235691219H47826H21H3
methyl2amino4(4chlorophenyl)1(2fluorophenyl)5oxo145678hexahydroquinoline3carboxylate
methyl2amino4(4chlorophenyl)1(2fluorophenyl)5oxo4678tetrahydroquinoline3carboxylate
MFCD01239743
ZINC000001022930
ZINC000001022931

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.