Vitas-M small molecule compound
2-amino-4-(4-nitrophenyl)-5-oxo-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK959542
SMILES N#CC1=C(N)N(c2cccnc2)C2=C(C1c1ccc(cc1)[N+](=O)[O-])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 C21H17N5O3 MW 387.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O3/c22-11-16-19(13-6-8-14(9-7-13)26(28)29)20-17(4-1-5-18(20)27)25(21(16)23)15-3-2-10-24-12-15/h2-3,6-10,12,19H,1,4-5,23H2InChIKey
VCPHGRDPRRVMML-UHFFFAOYSA-NSynonyms
444923-25-52amino4(4nitrophenyl)5oxo1(pyridin3yl)145678hexahydroquinoline3carbonitrile
2amino4(4nitrophenyl)5oxo1pyridin3yl4678tetrahydroquinoline3carbonitrile
444923255
C1CC2=C(C(C(=C(N2C3=CN=CC=C3)N)C#N)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)C1
InChI=1SC21H17N5O3c22111619(136814(9713)26(28)29)2017(41518(20)27)25(21(16)23)153210241215h236101219H14523H2
MFCD03070864
N#CC1=C(N)N(c2cccnc2)C2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CCC2
ZINC000000659487
ZINC000000659489
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