Vitas-M small molecule compound
ethyl 2-amino-1-(4-methoxyphenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK757535
SMILES CCOC(=O)C1=C(N)N(c2ccc(cc2)OC)C2=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 C25H25N3O6 MW 463.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O6/c1-3-34-25(30)23-21(15-7-9-17(10-8-15)28(31)32)22-19(5-4-6-20(22)29)27(24(23)26)16-11-13-18(33-2)14-12-16/h7-14,21H,3-6,26H2,1-2H3InChIKey
NEZHPNOAUMOHGD-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C2=C(C1C3=CC=C(C=C3)(N+)(=O)(O))C(=O)CCC2)C4=CC=C(C=C4)OC)N
CCOC(=O)C1=C(N)N(c2ccc(cc2)OC)C2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CCC2
ethyl2amino1(4methoxyphenyl)4(4nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
ethyl2amino1(4methoxyphenyl)4(4nitrophenyl)5oxo4678tetrahydroquinoline3carboxylate
InChI=1SC25H25N3O6c133425(30)2321(157917(10815)28(31)32)2219(54620(22)29)27(24(23)26)16111318(332)141216h71421H3626H212H3
MFCD01306079
ZINC000000714660
ZINC000000714661
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