Vitas-M small molecule compound
2-amino-5-oxo-4-[4-(1H-1,2,4-triazol-1-ylmethyl)thiophen-2-yl]-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK783143
SMILES N#CC1=C(N)N(C2=C(C1c1scc(c1)Cn1ncnc1)C(=O)CCC2)c1ccccc1C(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 C24H19F3N6OS MW 496.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19F3N6OS/c25-24(26,27)16-4-1-2-5-17(16)33-18-6-3-7-19(34)22(18)21(15(9-28)23(33)29)20-8-14(11-35-20)10-32-13-30-12-31-32/h1-2,4-5,8,11-13,21H,3,6-7,10,29H2InChIKey
ROVZOLFZMWZQII-UHFFFAOYSA-NSynonyms
2amino5oxo4(4(124triazol1ylmethyl)thiophen2yl)1(2(trifluoromethyl)phenyl)4678tetrahydroquinoline3carbonitrile
2amino5oxo4(4(1H124triazol1ylmethyl)thiophen2yl)1(2(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=CC=CC=C3C(F)(F)F)N)C#N)C4=CC(=CS4)CN5C=NC=N5)C(=O)C1
InChI=1SC24H19F3N6OSc2524(2627)16412517(16)331863719(34)22(18)21(15(928)23(33)29)20814(113520)10321330123132h12458111321H3671029H2
MFCD06617585
ZINC000012375402
ZINC000012375403
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