Vitas-M small molecule compound
2-amino-1-(2-fluorophenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK784886
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)[N+](=O)[O-])C(=O)CCC2)c1ccccc1F
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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 C20H15FN4O3S MW 410.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15FN4O3S/c21-12-4-1-2-5-13(12)24-14-6-3-7-15(26)19(14)18(11(10-22)20(24)23)16-8-9-17(29-16)25(27)28/h1-2,4-5,8-9,18H,3,6-7,23H2InChIKey
HNCAILZBNKIXIS-UHFFFAOYSA-NSynonyms
2amino1(2fluorophenyl)4(5nitrothiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(2fluorophenyl)4(5nitrothiophen2yl)5oxo4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=CC=CC=C3F)N)C#N)C4=CC=C(S4)(N+)(=O)(O))C(=O)C1
InChI=1SC20H15FN4O3Sc2112412513(12)241463715(26)19(14)18(11(1022)20(24)23)168917(2916)25(27)28h12458918H36723H2
MFCD07657264
N#CC1=C(N)N(C2=C(C1c1ccc(s1)(N+)(=O)(O))C(=O)CCC2)c1ccccc1F
ZINC000004709627
ZINC000004709630
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