Vitas-M small molecule compound
2-amino-4-[4-(diethylamino)phenyl]-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK755914
SMILES N#CC1=C(N)N(c2cccc(c2)[N+](=O)[O-])C2=C(C1c1ccc(cc1)N(CC)CC)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 C26H27N5O3 MW 457.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N5O3/c1-3-29(4-2)18-13-11-17(12-14-18)24-21(16-27)26(28)30(22-9-6-10-23(32)25(22)24)19-7-5-8-20(15-19)31(33)34/h5,7-8,11-15,24H,3-4,6,9-10,28H2,1-2H3InChIKey
ZRHLBRZUGFRVMW-UHFFFAOYSA-NSynonyms
2amino4(4(diethylamino)phenyl)1(3nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(4(diethylamino)phenyl)1(3nitrophenyl)5oxo4678tetrahydroquinoline3carbonitrile
CCN(CC)C1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=CC=C4)(N+)(=O)(O))N)C#N
InChI=1SC26H27N5O3c1329(42)18131117(121418)2421(1627)26(28)30(22961023(32)25(22)24)1975820(1519)31(33)34h578111524H34691028H212H3
MFCD01304563
N#CC1=C(N)N(c2cccc(c2)(N+)(=O)(O))C2=C(C1c1ccc(cc1)N(CC)CC)C(=O)CCC2
ZINC000001445486
ZINC000001445487
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