Vitas-M small molecule compound
2-amino-4-(1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK754548
SMILES N#CC1=C(N)N(c2cccc(c2)[N+](=O)[O-])C2=C(C1c1ccc3c(c1)OCO3)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 C23H18N4O5 MW 430.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N4O5/c24-11-16-21(13-7-8-19-20(9-13)32-12-31-19)22-17(5-2-6-18(22)28)26(23(16)25)14-3-1-4-15(10-14)27(29)30/h1,3-4,7-10,21H,2,5-6,12,25H2InChIKey
OJFZFWYDTPUORK-UHFFFAOYSA-NSynonyms
311318-13-52amino4(13benzodioxol5yl)1(3nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(13benzodioxol5yl)1(3nitrophenyl)5oxo4678tetrahydroquinoline3carbonitrile
311318135
C1CC2=C(C(C(=C(N2C3=CC(=CC=C3)(N+)(=O)(O))N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)C1
InChI=1SC23H18N4O5c24111621(13781920(913)32123119)2217(52618(22)28)26(23(16)25)1431415(1014)27(29)30h13471021H2561225H2
MFCD00826090
N#CC1=C(N)N(c2cccc(c2)(N+)(=O)(O))C2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2
ZINC000001057059
ZINC000001057061
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