Vitas-M small molecule compound
2'-amino-5-fluoro-2,5'-dioxo-1'-[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Catalog ID
STK778712
SMILES N#CC1=C(N)N(c2nnc(s2)SC(C)C)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 C22H19FN6O2S2 MW 482.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19FN6O2S2/c1-10(2)32-21-28-27-20(33-21)29-15-4-3-5-16(30)17(15)22(13(9-24)18(29)25)12-8-11(23)6-7-14(12)26-19(22)31/h6-8,10H,3-5,25H2,1-2H3,(H,26,31)InChIKey
DZSDGLVFWPKSGZ-UHFFFAOYSA-NSynonyms
2amino5fluoro25dioxo1(5(propan2ylsulfanyl)134thiadiazol2yl)125678hexahydro1Hspiro(indole34quinoline)3carbonitrile
2amino5fluoro25dioxo1(5propan2ylsulfanyl134thiadiazol2yl)spiro(1Hindole3478dihydro6Hquinoline)3carbonitrile
CC(C)SC1=NN=C(S1)N2C3=C(C(=O)CCC3)C4(C5=C(C=CC(=C5)F)NC4=O)C(=C2N)C#N
InChI=1SC22H19FN6O2S2c110(2)3221282720(3321)291543516(30)17(15)22(13(924)18(29)25)12811(23)6714(12)2619(22)31h6810H3525H212H3(H2631)
MFCD05857013
ZINC000012401673
ZINC000012401674
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