Vitas-M small molecule compound
2'-amino-5-fluoro-7',7'-dimethyl-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
STK778407
SMILES C=CCSc1nnc(s1)N1C(=C(C#N)C2(C3=C1CC(C)(C)CC3=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 C24H21FN6O2S2 MW 508.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21FN6O2S2/c1-4-7-34-22-30-29-21(35-22)31-16-9-23(2,3)10-17(32)18(16)24(14(11-26)19(31)27)13-8-12(25)5-6-15(13)28-20(24)33/h4-6,8H,1,7,9-10,27H2,2-3H3,(H,28,33)InChIKey
QLPKLSZNSBDQID-UHFFFAOYSA-NSynonyms
2amino5fluoro77dimethyl25dioxo1(5(prop2en1ylsulfanyl)134thiadiazol2yl)125678hexahydro1Hspiro(indole34quinoline)3carbonitrile
2amino5fluoro77dimethyl25dioxo1(5prop2enylsulfanyl134thiadiazol2yl)spiro(1Hindole3468dihydroquinoline)3carbonitrile
CC1(CC2=C(C(=O)C1)C3(C4=C(C=CC(=C4)F)NC3=O)C(=C(N2C5=NN=C(S5)SCC=C)N)C#N)C
InChI=1SC24H21FN6O2S2c1473422302921(3522)3116923(23)1017(32)18(16)24(14(1126)19(31)27)13812(25)5615(13)2820(24)33h468H1791027H223H3(H2833)
MFCD05856541
ZINC000012402240
ZINC000012402241
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