Vitas-M small molecule compound
2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK784615
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)[N+](=O)[O-])C(=O)CCC2)c1cc(ccc1Cl)C(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 C21H14ClF3N4O3S MW 494.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14ClF3N4O3S/c22-12-5-4-10(21(23,24)25)8-14(12)28-13-2-1-3-15(30)19(13)18(11(9-26)20(28)27)16-6-7-17(33-16)29(31)32/h4-8,18H,1-3,27H2InChIKey
VSZXKGQKZRQXQM-UHFFFAOYSA-NSynonyms
2amino1(2chloro5(trifluoromethyl)phenyl)4(5nitrothiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(2chloro5(trifluoromethyl)phenyl)4(5nitrothiophen2yl)5oxo4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=C(C=CC(=C3)C(F)(F)F)Cl)N)C#N)C4=CC=C(S4)(N+)(=O)(O))C(=O)C1
InChI=1SC21H14ClF3N4O3Sc22125410(21(2324)25)814(12)281321315(30)19(13)18(11(926)20(28)27)166717(3316)29(31)32h4818H1327H2
MFCD07022708
N#CC1=C(N)N(C2=C(C1c1ccc(s1)(N+)(=O)(O))C(=O)CCC2)c1cc(ccc1Cl)C(F)(F)F
ZINC000012428464
ZINC000012428465
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