Vitas-M small molecule compound
methyl 7-(2-chlorophenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK077527
SMILES COC(=O)C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)c1ccccc1Cl
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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 C24H21ClN2O5 MW 452.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClN2O5/c1-13-21(24(29)32-2)22(14-6-5-7-16(10-14)27(30)31)23-19(26-13)11-15(12-20(23)28)17-8-3-4-9-18(17)25/h3-10,15,22,26H,11-12H2,1-2H3InChIKey
OBJLGBIWIQHYBL-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3Cl)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)c1ccccc1Cl
InChI=1SC24H21ClN2O5c11321(24(29)322)22(1465716(1014)27(30)31)2319(2613)1115(1220(23)28)17834918(17)25h310152226H1112H212H3
methyl7(2chlorophenyl)2methyl4(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
methyl7(2chlorophenyl)2methyl4(3nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD01193810
STK077527
ZINC000019771078
ZINC000019771081
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