Vitas-M small molecule compound
2'-amino-5-fluoro-7',7'-dimethyl-1'-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,5'-dioxo-1,2,5',6',7',8'-hexahydro-1'H-spiro[indole-3,4'-quinoline]-3'-carbonitrile
Catalog ID
STK778405
SMILES N#CC1=C(N)N(c2nnc(s2)SC)C2=C(C31C(=O)Nc1c3cc(F)cc1)C(=O)CC(C2)(C)C
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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/c1-21(2)7-14-16(15(30)8-21)22(11-6-10(23)4-5-13(11)26-18(22)31)12(9-24)17(25)29(14)19-27-28-20(32-3)33-19/h4-6H,7-8,25H2,1-3H3,(H,26,31)InChIKey
KPILGQLKRWKOKF-UHFFFAOYSA-NSynonyms
2amino5fluoro77dimethyl1(5(methylsulfanyl)134thiadiazol2yl)25dioxo125678hexahydro1Hspiro(indole34quinoline)3carbonitrile
2amino5fluoro77dimethyl1(5methylsulfanyl134thiadiazol2yl)25dioxospiro(1Hindole3468dihydroquinoline)3carbonitrile
CC1(CC2=C(C(=O)C1)C3(C4=C(C=CC(=C4)F)NC3=O)C(=C(N2C5=NN=C(S5)SC)N)C#N)C
InChI=1SC22H19FN6O2S2c121(2)71416(15(30)821)22(11610(23)4513(11)2618(22)31)12(924)17(25)29(14)19272820(323)3319h46H7825H213H3(H2631)
MFCD05856539
ZINC000012402238
ZINC000012402239
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