Vitas-M small molecule compound
methyl 7-(2-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403016
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)c1ccccc1OC
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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 C25H24N2O6 MW 448.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O6/c1-14-22(25(29)33-3)23(15-8-10-17(11-9-15)27(30)31)24-19(26-14)12-16(13-20(24)28)18-6-4-5-7-21(18)32-2/h4-11,16,23,26H,12-13H2,1-3H3InChIKey
CQOCVPBYXNVPDE-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)c1ccccc1OC
InChI=1SC25H24N2O6c11422(25(29)333)23(1581017(11915)27(30)31)2419(2614)1216(1320(24)28)18645721(18)322h411162326H1213H213H3
methyl7(2methoxyphenyl)2methyl4(4nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
methyl7(2methoxyphenyl)2methyl4(4nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD03145170
ZINC000001438596
ZINC000001438599
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