Vitas-M small molecule compound
2-amino-4-(2,3-dimethoxyphenyl)-5-oxo-1-(5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK683617
SMILES N#CC1=C(N)N(c2nnc(s2)SCc2cccc(c2)C(F)(F)F)C2=C(C1c1cccc(c1OC)OC)C(=O)CCC2
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C28H24F3N5O3S2 MW 599.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24F3N5O3S2/c1-38-21-11-4-8-17(24(21)39-2)22-18(13-32)25(33)36(19-9-5-10-20(37)23(19)22)26-34-35-27(41-26)40-14-15-6-3-7-16(12-15)28(29,30)31/h3-4,6-8,11-12,22H,5,9-10,14,33H2,1-2H3InChIKey
ODFPLEYWMDMWGQ-UHFFFAOYSA-NSynonyms
2amino4(23dimethoxyphenyl)5oxo1(5((3(trifluoromethyl)benzyl)sulfanyl)134thiadiazol2yl)145678hexahydroquinoline3carbonitrile
2amino4(23dimethoxyphenyl)5oxo1(5((3(trifluoromethyl)phenyl)methylsulfanyl)134thiadiazol2yl)4678tetrahydroquinoline3carbonitrile
COC1=CC=CC(=C1OC)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SCC5=CC(=CC=C5)C(F)(F)F)N)C#N
InChI=1SC28H24F3N5O3S2c13821114817(24(21)392)2218(1332)25(33)36(19951020(37)23(19)22)26343527(4126)40141563716(1215)28(2930)31h3468111222H59101433H212H3
MFCD05258386
ZINC000098006137
ZINC000098006138
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