Vitas-M small molecule compound
2-amino-4-(2-methoxyphenyl)-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
STK683681
SMILES N#CC1=C(N)N(c2nnc(s2)SCc2cccc(c2)C(F)(F)F)C2=C(C1c1ccccc1OC)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 C27H22F3N5O2S2 MW 569.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22F3N5O2S2/c1-37-21-11-3-2-8-17(21)22-18(13-31)24(32)35(19-9-5-10-20(36)23(19)22)25-33-34-26(39-25)38-14-15-6-4-7-16(12-15)27(28,29)30/h2-4,6-8,11-12,22H,5,9-10,14,32H2,1H3InChIKey
CNQWVNRUEQXTEH-UHFFFAOYSA-NSynonyms
2amino4(2methoxyphenyl)5oxo1(5((3(trifluoromethyl)benzyl)sulfanyl)134thiadiazol2yl)145678hexahydroquinoline3carbonitrile2amino4(2methoxyphenyl)5oxo1(5((3(trifluoromethyl)phenyl)methylsulfanyl)134thiadiazol2yl)4678tetrahydroquinoline3carbonitrile
COC1=CC=CC=C1C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SCC5=CC(=CC=C5)C(F)(F)F)N)C#N
Registry IDs
MFCD05258539ZINC000098006208
ZINC000098006209
Check stock
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Check stock on Vitas-MAvailable files
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