Vitas-M small molecule compound
2-amino-7,7-dimethyl-4-(2-methylphenyl)-5-oxo-1-(5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK683437
SMILES N#CC1=C(N)N(c2nnc(s2)SCc2cccc(c2)C(F)(F)F)C2=C(C1c1ccccc1C)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 C29H26F3N5OS2 MW 581.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26F3N5OS2/c1-16-7-4-5-10-19(16)23-20(14-33)25(34)37(21-12-28(2,3)13-22(38)24(21)23)26-35-36-27(40-26)39-15-17-8-6-9-18(11-17)29(30,31)32/h4-11,23H,12-13,15,34H2,1-3H3InChIKey
NNQMFBBTVQKJES-UHFFFAOYSA-NSynonyms
2amino77dimethyl4(2methylphenyl)5oxo1(5((3(trifluoromethyl)benzyl)sulfanyl)134thiadiazol2yl)145678hexahydroquinoline3carbonitrile2AMINO77DIMETHYL4(2METHYLPHENYL)5OXO1(5((3(TRIFLUOROMETHYL)PHENYL)METHYLSULFANYL)134THIADIAZOL2YL)68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1=CC=CC=C1C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=NN=C(S4)SCC5=CC(=CC=C5)C(F)(F)F)N)C#N
Registry IDs
MFCD05257862ZINC000098006059
ZINC000098006060
Check stock
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Check stock on Vitas-MAvailable files
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