Vitas-M small molecule compound
2-amino-4-(5-nitrothiophen-2-yl)-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK783544
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)[N+](=O)[O-])C(=O)CCC2)c1ccccc1C(F)(F)F
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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 C21H15F3N4O3S MW 460.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15F3N4O3S/c22-21(23,24)12-4-1-2-5-13(12)27-14-6-3-7-15(29)19(14)18(11(10-25)20(27)26)16-8-9-17(32-16)28(30)31/h1-2,4-5,8-9,18H,3,6-7,26H2InChIKey
YXSJTPYWULGTHP-UHFFFAOYSA-NSynonyms
2amino4(5nitrothiophen2yl)5oxo1(2(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
2amino4(5nitrothiophen2yl)5oxo1(2(trifluoromethyl)phenyl)4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=CC=CC=C3C(F)(F)F)N)C#N)C4=CC=C(S4)(N+)(=O)(O))C(=O)C1
InChI=1SC21H15F3N4O3Sc2221(2324)12412513(12)271463715(29)19(14)18(11(1025)20(27)26)168917(3216)28(30)31h12458918H36726H2
MFCD06618385
N#CC1=C(N)N(C2=C(C1c1ccc(s1)(N+)(=O)(O))C(=O)CCC2)c1ccccc1C(F)(F)F
ZINC000012375404
ZINC000012375405
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