Vitas-M small molecule compound
2-amino-4-(1-methyl-1H-pyrazol-4-yl)-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK959893
SMILES N#CC1=C(N)N(C2=C(C1c1cnn(c1)C)C(=O)CCC2)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 C20H18N6O3 MW 390.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N6O3/c1-24-11-12(10-23-24)18-15(9-21)20(22)25(16-3-2-4-17(27)19(16)18)13-5-7-14(8-6-13)26(28)29/h5-8,10-11,18H,2-4,22H2,1H3InChIKey
OJORGHOKUAXFEG-UHFFFAOYSA-NSynonyms
491828-52-52amino4(1methyl1Hpyrazol4yl)1(4nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(1methylpyrazol4yl)1(4nitrophenyl)5oxo4678tetrahydroquinoline3carbonitrile
491828525
CN1C=C(C=N1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)(N+)(=O)(O))N)C#N
InChI=1SC20H18N6O3c1241112(102324)1815(921)20(22)25(1632417(27)19(16)18)135714(8613)26(28)29h58101118H2422H21H3
MFCD02606621
N#CC1=C(N)N(C2=C(C1c1cnn(c1)C)C(=O)CCC2)c1ccc(cc1)(N+)(=O)(O)
ZINC000005590392
ZINC000005590394
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