Vitas-M small molecule compound
2-amino-1-(4-methoxyphenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK753802
SMILES COc1ccc(cc1)N1C(=C(C#N)C(C2=C1CCCC2=O)c1ccc(cc1)[N+](=O)[O-])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/c1-31-17-11-9-15(10-12-17)26-19-3-2-4-20(28)22(19)21(18(13-24)23(26)25)14-5-7-16(8-6-14)27(29)30/h5-12,21H,2-4,25H2,1H3InChIKey
YTTLEKFATVHENA-UHFFFAOYSA-NSynonyms
312272-85-82amino1(4methoxyphenyl)4(4nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(4methoxyphenyl)4(4nitrophenyl)5oxo4678tetrahydroquinoline3carbonitrile
312272858
COC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)CCC3
COc1ccc(cc1)N1C(=C(C#N)C(C2=C1CCCC2=O)c1ccc(cc1)(N+)(=O)(O))N
InChI=1SC23H20N4O4c1311711915(101217)261932420(28)22(19)21(18(1324)23(26)25)145716(8614)27(29)30h51221H2425H21H3
MFCD00824602
ZINC000000713356
ZINC000000713359
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