Vitas-M small molecule compound

2-amino-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK783043
SMILES N#CC1=C(N)N(c2cccc(c2)C(F)(F)F)C2=C(C1c1ccc(s1)[N+](=O)[O-])C(=O)CC(C2)(C)C

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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 C23H19F3N4O3S MW 488.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19F3N4O3S/c1-22(2)9-15-20(16(31)10-22)19(17-6-7-18(34-17)30(32)33)14(11-27)21(28)29(15)13-5-3-4-12(8-13)23(24,25)26/h3-8,19H,9-10,28H2,1-2H3
InChIKey
VNHAVAHQYGPGRO-UHFFFAOYSA-N
Synonyms

2amino77dimethyl4(5nitrothiophen2yl)5oxo1(3(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
2AMINO77DIMETHYL4(5NITROTHIOPHEN2YL)5OXO1(3(TRIFLUOROMETHYL)PHENYL)68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC=CC(=C3)C(F)(F)F)N)C#N)C4=CC=C(S4)(N+)(=O)(O))C(=O)C1)C
InChI=1SC23H19F3N4O3Sc122(2)91520(16(31)1022)19(176718(3417)30(32)33)14(1127)21(28)29(15)1353412(813)23(2425)26h3819H91028H212H3
MFCD06617424
N#CC1=C(N)N(c2cccc(c2)C(F)(F)F)C2=C(C1c1ccc(s1)(N+)(=O)(O))C(=O)CC(C2)(C)C
ZINC000012402329
ZINC000012402330

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Available files

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