Vitas-M small molecule compound
methyl 4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL173093
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)[N+](=O)[O-])OCc1ccc(cc1)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 C25H23ClN2O6 MW 482.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN2O6/c1-14-22(25(30)33-2)23(24-18(27-14)4-3-5-20(24)29)16-8-11-21(19(12-16)28(31)32)34-13-15-6-9-17(26)10-7-15/h6-12,23,27H,3-5,13H2,1-2H3InChIKey
SSWIPWROGPGMBU-UHFFFAOYSA-NSynonyms
397875-26-2397875262
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)OCC4=CC=C(C=C4)Cl)(N+)(=O)(O))C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)(N+)(=O)(O))OCc1ccc(cc1)Cl)C(=O)CCC2
InChI=1SC25H23ClN2O6c11422(25(30)332)23(2418(2714)43520(24)29)1681121(19(1216)28(31)32)3413156917(26)10715h6122327H3513H212H3
methyl4(4((4chlorobenzyl)oxy)3nitrophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(4((4chlorophenyl)methoxy)3nitrophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD02175342
ZINC000001001876
ZINC000001001877
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