Vitas-M small molecule compound
2'-amino-5-fluoro-2,5'-dioxo-1'-[5-(prop-2-en-1-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
STK778156
SMILES C=CCSc1nnc(s1)N1C(=C(C#N)C2(C3=C1CCCC3=O)C(=O)Nc1c2cc(F)cc1)N
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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 C22H17FN6O2S2 MW 480.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17FN6O2S2/c1-2-8-32-21-28-27-20(33-21)29-15-4-3-5-16(30)17(15)22(13(10-24)18(29)25)12-9-11(23)6-7-14(12)26-19(22)31/h2,6-7,9H,1,3-5,8,25H2,(H,26,31)InChIKey
FRJBDMOZPZTTFY-UHFFFAOYSA-NSynonyms
2amino5fluoro25dioxo1(5(prop2en1ylsulfanyl)134thiadiazol2yl)125678hexahydro1Hspiro(indole34quinoline)3carbonitrile
2amino5fluoro25dioxo1(5prop2enylsulfanyl134thiadiazol2yl)spiro(1Hindole3478dihydro6Hquinoline)3carbonitrile
C=CCSC1=NN=C(S1)N2C3=C(C(=O)CCC3)C4(C5=C(C=CC(=C5)F)NC4=O)C(=C2N)C#N
InChI=1SC22H17FN6O2S2c1283221282720(3321)291543516(30)17(15)22(13(1024)18(29)25)12911(23)6714(12)2619(22)31h2679H135825H2(H2631)
MFCD05855850
ZINC000012363647
ZINC000012363649
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