Vitas-M small molecule compound
2-amino-4-(1,5-dimethyl-1H-pyrazol-4-yl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK960099
SMILES N#CC1=C(N)N(c2cccc(c2)[N+](=O)[O-])C2=C(C1c1cnn(c1C)C)C(=O)CC(C2)(C)C
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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 C23H24N6O3 MW 432.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N6O3/c1-13-17(12-26-27(13)4)20-16(11-24)22(25)28(14-6-5-7-15(8-14)29(31)32)18-9-23(2,3)10-19(30)21(18)20/h5-8,12,20H,9-10,25H2,1-4H3InChIKey
HRJZZERVXXXJEU-UHFFFAOYSA-NSynonyms
514857-04-62amino4(15dimethyl1Hpyrazol4yl)77dimethyl1(3nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(15DIMETHYLPYRAZOL4YL)77DIMETHYL1(3NITROPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
514857046
CC1=C(C=NN1C)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC(=CC=C4)(N+)(=O)(O))N)C#N
InChI=1SC23H24N6O3c11317(122627(13)4)2016(1124)22(25)28(1465715(814)29(31)32)18923(23)1019(30)21(18)20h581220H91025H214H3
MFCD02606970
N#CC1=C(N)N(c2cccc(c2)(N+)(=O)(O))C2=C(C1c1cnn(c1C)C)C(=O)CC(C2)(C)C
ZINC000000679853
ZINC000000679854
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