Vitas-M small molecule compound
2'-amino-1-methyl-2,5'-dioxo-1'-(5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Catalog ID
STK684923
SMILES N#CC1=C(N)N(c2nnc(s2)SCc2cccc(c2)C(F)(F)F)C2=C(C31c1ccccc1N(C3=O)C)C(=O)CCC2
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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 C28H21F3N6O2S2 MW 594.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21F3N6O2S2/c1-36-19-9-3-2-8-17(19)27(24(36)39)18(13-32)23(33)37(20-10-5-11-21(38)22(20)27)25-34-35-26(41-25)40-14-15-6-4-7-16(12-15)28(29,30)31/h2-4,6-9,12H,5,10-11,14,33H2,1H3InChIKey
FRUFGKWSRANKEJ-UHFFFAOYSA-NSynonyms
2amino1methyl25dioxo1(5((3(trifluoromethyl)benzyl)sulfanyl)134thiadiazol2yl)125678hexahydro1Hspiro(indole34quinoline)3carbonitrile
2AMINO1METHYL25DIOXO1(5((3(TRIFLUOROMETHYL)PHENYL)METHYLSULFANYL)134THIADIAZOL2YL)SPIRO(78DIHYDRO6HQUINOLINE43INDOLE)3CARBONITRILE
CN1C2=CC=CC=C2C3(C1=O)C(=C(N(C4=C3C(=O)CCC4)C5=NN=C(S5)SCC6=CC(=CC=C6)C(F)(F)F)N)C#N
InChI=1SC28H21F3N6O2S2c13619932817(19)27(24(36)39)18(1332)23(33)37(201051121(38)22(20)27)25343526(4125)40141564716(1215)28(2930)31h246912H510111433H21H3
MFCD05856568
ZINC000098007209
ZINC000098007210
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