Vitas-M small molecule compound
ethyl 4-[1-(2,4-dichlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK316009
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cn(nc1c1ccccc1)Cc1ccc(cc1Cl)Cl)C(=O)CCC2
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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 C29H27Cl2N3O3 MW 536.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27Cl2N3O3/c1-3-37-29(36)25-17(2)32-23-10-7-11-24(35)27(23)26(25)21-16-34(15-19-12-13-20(30)14-22(19)31)33-28(21)18-8-5-4-6-9-18/h4-6,8-9,12-14,16,26,32H,3,7,10-11,15H2,1-2H3InChIKey
ZGWSXKLENUSSGZ-UHFFFAOYSA-NSynonyms
492425-46-4492425464
CCOC(=O)C1=C(NC2=C(C1C3=CN(N=C3C4=CC=CC=C4)CC5=C(C=C(C=C5)Cl)Cl)C(=O)CCC2)C
ethyl4(1((24dichlorophenyl)methyl)3phenylpyrazol4yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ethyl4(1(24dichlorobenzyl)3phenyl1Hpyrazol4yl)2methyl5oxo145678hexahydroquinoline3carboxylate
InChI=1SC29H27Cl2N3O3c133729(36)2517(2)32231071124(35)27(23)26(25)211634(1519121320(30)1422(19)31)3328(21)188546918h46891214162632H37101115H212H3
MFCD02175305
ZINC000002759564
ZINC000002759565
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