Vitas-M small molecule compound
2-amino-4-(5-nitrothiophen-2-yl)-1-[2-nitro-4-(trifluoromethyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK785374
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)[N+](=O)[O-])C(=O)CCC2)c1ccc(cc1[N+](=O)[O-])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 C21H14F3N5O5S MW 505.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14F3N5O5S/c22-21(23,24)10-4-5-12(14(8-10)28(31)32)27-13-2-1-3-15(30)19(13)18(11(9-25)20(27)26)16-6-7-17(35-16)29(33)34/h4-8,18H,1-3,26H2InChIKey
MBRXXOUKXIKLMP-UHFFFAOYSA-NSynonyms
2amino4(5nitrothiophen2yl)1(2nitro4(trifluoromethyl)phenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(5nitrothiophen2yl)1(2nitro4(trifluoromethyl)phenyl)5oxo4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=C(C=C(C=C3)C(F)(F)F)(N+)(=O)(O))N)C#N)C4=CC=C(S4)(N+)(=O)(O))C(=O)C1
InChI=1SC21H14F3N5O5Sc2221(2324)104512(14(810)28(31)32)271321315(30)19(13)18(11(925)20(27)26)166717(3516)29(33)34h4818H1326H2
MFCD07658532
N#CC1=C(N)N(C2=C(C1c1ccc(s1)(N+)(=O)(O))C(=O)CCC2)c1ccc(cc1(N+)(=O)(O))C(F)(F)F
ZINC000012428468
ZINC000012428469
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