Vitas-M small molecule compound
2-amino-5-oxo-4-(thiophen-3-yl)-1-(5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK683686
SMILES N#CC1=C(N)N(c2nnc(s2)SCc2cccc(c2)C(F)(F)F)C2=C(C1c1ccsc1)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 C24H18F3N5OS3 MW 545.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18F3N5OS3/c25-24(26,27)15-4-1-3-13(9-15)11-35-23-31-30-22(36-23)32-17-5-2-6-18(33)20(17)19(14-7-8-34-12-14)16(10-28)21(32)29/h1,3-4,7-9,12,19H,2,5-6,11,29H2InChIKey
MOZOJQDNEIXAIU-UHFFFAOYSA-NSynonyms
2amino5oxo4(thiophen3yl)1(5((3(trifluoromethyl)benzyl)sulfanyl)134thiadiazol2yl)145678hexahydroquinoline3carbonitrile2amino5oxo4thiophen3yl1(5((3(trifluoromethyl)phenyl)methylsulfanyl)134thiadiazol2yl)4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=NN=C(S3)SCC4=CC(=CC=C4)C(F)(F)F)N)C#N)C5=CSC=C5)C(=O)C1
Registry IDs
MFCD05258549ZINC000098006218
ZINC000098006219
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