Vitas-M small molecule compound
ethyl 4-{3-[(4-chloro-2-methylphenoxy)methyl]-2,5-dimethylphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL176464
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cc(C)cc(c1C)COc1ccc(cc1C)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 C29H32ClNO4 MW 494.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32ClNO4/c1-6-34-29(33)26-19(5)31-23-8-7-9-24(32)28(23)27(26)22-13-16(2)12-20(18(22)4)15-35-25-11-10-21(30)14-17(25)3/h10-14,27,31H,6-9,15H2,1-5H3InChIKey
FGPZBZHGSQCPEN-UHFFFAOYSA-NSynonyms
677730-94-8677730948
CCOC(=O)C1=C(NC2=C(C1C3=CC(=CC(=C3C)COC4=C(C=C(C=C4)Cl)C)C)C(=O)CCC2)C
ethyl4(3((4chloro2methylphenoxy)methyl)25dimethylphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(3((4chloro2methylphenoxy)methyl)25dimethylphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC29H32ClNO4c163429(33)2619(5)312387924(32)28(23)27(26)221316(2)1220(18(22)4)153525111021(30)1417(25)3h10142731H6915H215H3
MFCD03883560
ZINC000002747798
ZINC000002747799
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