Vitas-M small molecule compound
2-amino-5-oxo-4-(pyridin-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
STK683704
SMILES N#CC1=C(N)N(C2=C(C1c1cccnc1)C(=O)CCC2)c1nnc(s1)SCc1cccc(c1)C(F)(F)F
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C25H19F3N6OS2 MW 540.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19F3N6OS2/c26-25(27,28)16-6-1-4-14(10-16)13-36-24-33-32-23(37-24)34-18-7-2-8-19(35)21(18)20(17(11-29)22(34)30)15-5-3-9-31-12-15/h1,3-6,9-10,12,20H,2,7-8,13,30H2InChIKey
AFFNXORPFDROCN-UHFFFAOYSA-NSynonyms
2amino5oxo4(pyridin3yl)1(5((3(trifluoromethyl)benzyl)sulfanyl)134thiadiazol2yl)145678hexahydroquinoline3carbonitrile
2amino5oxo4pyridin3yl1(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=CN=CC=C5)C(=O)C1
InChI=1SC25H19F3N6OS2c2625(2728)1661414(1016)133624333223(3724)341872819(35)21(18)20(17(1129)22(34)30)15539311215h1369101220H2781330H2
MFCD05258584
ZINC000098006255
ZINC000098006256
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