Vitas-M small molecule compound
4-methoxybenzyl 2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK089048
SMILES COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)[N+](=O)[O-])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 C25H24N2O6 MW 448.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O6/c1-15-22(25(29)33-14-16-6-12-19(32-2)13-7-16)23(17-8-10-18(11-9-17)27(30)31)24-20(26-15)4-3-5-21(24)28/h6-13,23,26H,3-5,14H2,1-2H3InChIKey
WHNOTLGSIJOLOU-UHFFFAOYSA-NSynonyms
(4methoxyphenyl)methyl2methyl4(4nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
4methoxybenzyl2methyl4(4nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)(N+)(=O)(O))C(=O)OCC4=CC=C(C=C4)OC
COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CCC2
InChI=1SC25H24N2O6c11522(25(29)33141661219(322)13716)23(1781018(11917)27(30)31)2420(2615)43521(24)28h6132326H3514H212H3
MFCD02375898
STK089048
ZINC000001203988
ZINC000001203994
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