Vitas-M small molecule compound
2'-amino-5-fluoro-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
STK684922
SMILES N#CC1=C(N)N(c2nnc(s2)SCc2cccc(c2)C(F)(F)F)C2=C(C31C(=O)Nc1c3cc(F)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 C27H18F4N6O2S2 MW 598.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18F4N6O2S2/c28-15-7-8-18-16(10-15)26(23(39)34-18)17(11-32)22(33)37(19-5-2-6-20(38)21(19)26)24-35-36-25(41-24)40-12-13-3-1-4-14(9-13)27(29,30)31/h1,3-4,7-10H,2,5-6,12,33H2,(H,34,39)InChIKey
LJAIRVWDKFMYDH-UHFFFAOYSA-NSynonyms
2amino5fluoro25dioxo1(5((3(trifluoromethyl)benzyl)sulfanyl)134thiadiazol2yl)125678hexahydro1Hspiro(indole34quinoline)3carbonitrile
2amino5fluoro25dioxo1(5((3(trifluoromethyl)phenyl)methylsulfanyl)134thiadiazol2yl)spiro(1Hindole3478dihydro6Hquinoline)3carbonitrile
C1CC2=C(C(=O)C1)C3(C4=C(C=CC(=C4)F)NC3=O)C(=C(N2C5=NN=C(S5)SCC6=CC(=CC=C6)C(F)(F)F)N)C#N
InChI=1SC27H18F4N6O2S2c2815781816(1015)26(23(39)3418)17(1132)22(33)37(1952620(38)21(19)26)24353625(4124)40121331414(913)27(2930)31h134710H2561233H2(H3439)
MFCD05856567
ZINC000098007207
ZINC000098007208
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