Vitas-M small molecule compound
2-amino-1-(4-nitrophenyl)-5-oxo-7-phenyl-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK960081
SMILES N#CC1=C(N)N(C2=C(C1c1cccnc1)C(=O)CC(C2)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]
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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 C27H21N5O3 MW 463.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N5O3/c28-15-22-25(18-7-4-12-30-16-18)26-23(13-19(14-24(26)33)17-5-2-1-3-6-17)31(27(22)29)20-8-10-21(11-9-20)32(34)35/h1-12,16,19,25H,13-14,29H2InChIKey
VRISDGPBHFACNX-UHFFFAOYSA-NSynonyms
444933-67-92amino1(4nitrophenyl)5oxo7phenyl4(pyridin3yl)145678hexahydroquinoline3carbonitrile
2amino1(4nitrophenyl)5oxo7phenyl4pyridin3yl4678tetrahydroquinoline3carbonitrile
444933679
C1C(CC(=O)C2=C1N(C(=C(C2C3=CN=CC=C3)C#N)N)C4=CC=C(C=C4)(N+)(=O)(O))C5=CC=CC=C5
InChI=1SC27H21N5O3c28152225(187412301618)2623(1319(1424(26)33)175213617)31(27(22)29)2081021(11920)32(34)35h112161925H131429H2
MFCD02606942
N#CC1=C(N)N(C2=C(C1c1cccnc1)C(=O)CC(C2)c1ccccc1)c1ccc(cc1)(N+)(=O)(O)
ZINC000008456175
ZINC000008456178
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