Vitas-M small molecule compound
2-amino-4-(1,3-benzodioxol-5-yl)-1-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK757314
SMILES N#CC1=C(N)N(C2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2)c1ccccc1[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 C23H18N4O5 MW 430.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N4O5/c24-11-14-21(13-8-9-19-20(10-13)32-12-31-19)22-17(6-3-7-18(22)28)26(23(14)25)15-4-1-2-5-16(15)27(29)30/h1-2,4-5,8-10,21H,3,6-7,12,25H2InChIKey
OACVCHUQJHOIRY-UHFFFAOYSA-NSynonyms
2amino4(13benzodioxol5yl)1(2nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(13benzodioxol5yl)1(2nitrophenyl)5oxo4678tetrahydroquinoline3carbonitrile
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=1SC23H18N4O5c24111421(13891920(1013)32123119)2217(63718(22)28)26(23(14)25)15412516(15)27(29)30h124581021H3671225H2
MFCD01240358
N#CC1=C(N)N(C2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2)c1ccccc1(N+)(=O)(O)
ZINC000008443065
ZINC000008443066
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