Vitas-M small molecule compound
2-amino-4-(4-methoxyphenyl)-1-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK674012
SMILES COc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CCC2)c1ccccc1[N+](=O)[O-])C#N
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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 C23H20N4O4 MW 416.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O4/c1-31-15-11-9-14(10-12-15)21-16(13-24)23(25)26(19-7-4-8-20(28)22(19)21)17-5-2-3-6-18(17)27(29)30/h2-3,5-6,9-12,21H,4,7-8,25H2,1H3InChIKey
FEJJFJUKPGYIDI-UHFFFAOYSA-NSynonyms
2amino4(4methoxyphenyl)1(2nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(4methoxyphenyl)1(2nitrophenyl)5oxo4678tetrahydroquinoline3carbonitrile
COC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=CC=C4(N+)(=O)(O))N)C#N
COc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CCC2)c1ccccc1(N+)(=O)(O))C#N
InChI=1SC23H20N4O4c1311511914(101215)2116(1324)23(25)26(1974820(28)22(19)21)17523618(17)27(29)30h235691221H47825H21H3
MFCD01239538
ZINC000004117187
ZINC000004117188
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