Vitas-M small molecule compound
2-amino-1-(4-bromo-2-fluorophenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK783890
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)[N+](=O)[O-])C(=O)CCC2)c1ccc(cc1F)Br
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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 C20H14BrFN4O3S MW 489.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14BrFN4O3S/c21-10-4-5-13(12(22)8-10)25-14-2-1-3-15(27)19(14)18(11(9-23)20(25)24)16-6-7-17(30-16)26(28)29/h4-8,18H,1-3,24H2InChIKey
DHKCVUKEPOOQGD-UHFFFAOYSA-NSynonyms
2amino1(4bromo2fluorophenyl)4(5nitrothiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(4bromo2fluorophenyl)4(5nitrothiophen2yl)5oxo4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=C(C=C(C=C3)Br)F)N)C#N)C4=CC=C(S4)(N+)(=O)(O))C(=O)C1
InChI=1SC20H14BrFN4O3Sc21104513(12(22)810)251421315(27)19(14)18(11(923)20(25)24)166717(3016)26(28)29h4818H1324H2
MFCD06619145
N#CC1=C(N)N(C2=C(C1c1ccc(s1)(N+)(=O)(O))C(=O)CCC2)c1ccc(cc1F)Br
ZINC000012428446
ZINC000012428447
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