Vitas-M small molecule compound
2'-amino-5-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
STK683624
SMILES N#CC1=C(N)N(c2nnc(s2)SCc2cccc(c2)C(F)(F)F)C2=C(C31C(=O)Nc1c3cc(C)cc1)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/c1-14-8-9-19-17(10-14)27(24(39)34-19)18(12-32)23(33)37(20-6-3-7-21(38)22(20)27)25-35-36-26(41-25)40-13-15-4-2-5-16(11-15)28(29,30)31/h2,4-5,8-11H,3,6-7,13,33H2,1H3,(H,34,39)InChIKey
LVOYKWXUGDVLGN-UHFFFAOYSA-NSynonyms
2amino5methyl25dioxo1(5((3(trifluoromethyl)benzyl)sulfanyl)134thiadiazol2yl)125678hexahydro1Hspiro(indole34quinoline)3carbonitrile
2amino5methyl25dioxo1(5((3(trifluoromethyl)phenyl)methylsulfanyl)134thiadiazol2yl)spiro(1Hindole3478dihydro6Hquinoline)3carbonitrile
CC1=CC2=C(C=C1)NC(=O)C23C(=C(N(C4=C3C(=O)CCC4)C5=NN=C(S5)SCC6=CC(=CC=C6)C(F)(F)F)N)C#N
InChI=1SC28H21F3N6O2S2c114891917(1014)27(24(39)3419)18(1232)23(33)37(2063721(38)22(20)27)25353626(4125)40131542516(1115)28(2930)31h245811H3671333H21H3(H3439)
MFCD05258414
ZINC000098006153
ZINC000098006154
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