Vitas-M small molecule compound
2-amino-1-(3-nitrophenyl)-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK754047
SMILES N#CC1=C(N)N(C2=C(C1c1cscc1)C(=O)CCC2)c1cccc(c1)[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 C20H16N4O3S MW 392.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O3S/c21-10-15-18(12-7-8-28-11-12)19-16(5-2-6-17(19)25)23(20(15)22)13-3-1-4-14(9-13)24(26)27/h1,3-4,7-9,11,18H,2,5-6,22H2InChIKey
XXVSUEWFMGSOKX-UHFFFAOYSA-NSynonyms
311332-82-82amino1(3nitrophenyl)5oxo4(thiophen3yl)145678hexahydroquinoline3carbonitrile
2amino1(3nitrophenyl)5oxo4thiophen3yl4678tetrahydroquinoline3carbonitrile
311332828
C1CC2=C(C(C(=C(N2C3=CC(=CC=C3)(N+)(=O)(O))N)C#N)C4=CSC=C4)C(=O)C1
InChI=1SC20H16N4O3Sc21101518(1278281112)1916(52617(19)25)23(20(15)22)1331414(913)24(26)27h134791118H25622H2
MFCD00825010
N#CC1=C(N)N(C2=C(C1c1cscc1)C(=O)CCC2)c1cccc(c1)(N+)(=O)(O)
ZINC000001056446
ZINC000001056448
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