Vitas-M small molecule compound
2'-amino-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
STK683623
SMILES N#CC1=C(N)N(c2nnc(s2)SCc2cccc(c2)C(F)(F)F)C2=C(C31C(=O)Nc1c3cccc1)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 C27H19F3N6O2S2 MW 580.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19F3N6O2S2/c28-27(29,30)15-6-3-5-14(11-15)13-39-25-35-34-24(40-25)36-19-9-4-10-20(37)21(19)26(17(12-31)22(36)32)16-7-1-2-8-18(16)33-23(26)38/h1-3,5-8,11H,4,9-10,13,32H2,(H,33,38)InChIKey
VIJCHVAGWGRBFP-UHFFFAOYSA-NSynonyms
2amino25dioxo1(5((3(trifluoromethyl)benzyl)sulfanyl)134thiadiazol2yl)125678hexahydro1Hspiro(indole34quinoline)3carbonitrile
2amino25dioxo1(5((3(trifluoromethyl)phenyl)methylsulfanyl)134thiadiazol2yl)spiro(1Hindole3478dihydro6Hquinoline)3carbonitrile
C1CC2=C(C(=O)C1)C3(C4=CC=CC=C4NC3=O)C(=C(N2C5=NN=C(S5)SCC6=CC(=CC=C6)C(F)(F)F)N)C#N
InChI=1SC27H19F3N6O2S2c2827(2930)1563514(1115)133925353424(4025)3619941020(37)21(19)26(17(1231)22(36)32)16712818(16)3323(26)38h135811H49101332H2(H3338)
MFCD05258412
ZINC000098006151
ZINC000098006152
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