Vitas-M small molecule compound
2-amino-7,7-dimethyl-5-oxo-4-phenyl-1-(5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK683703
SMILES N#CC1=C(N)N(C2=C(C1c1ccccc1)C(=O)CC(C2)(C)C)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 C28H24F3N5OS2 MW 567.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24F3N5OS2/c1-27(2)12-20-23(21(37)13-27)22(17-8-4-3-5-9-17)19(14-32)24(33)36(20)25-34-35-26(39-25)38-15-16-7-6-10-18(11-16)28(29,30)31/h3-11,22H,12-13,15,33H2,1-2H3InChIKey
BVTHKIJDXNWYEB-UHFFFAOYSA-NSynonyms
2amino77dimethyl5oxo4phenyl1(5((3(trifluoromethyl)benzyl)sulfanyl)134thiadiazol2yl)145678hexahydroquinoline3carbonitrile
2AMINO77DIMETHYL5OXO4PHENYL1(5((3(TRIFLUOROMETHYL)PHENYL)METHYLSULFANYL)134THIADIAZOL2YL)68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=NN=C(S3)SCC4=CC(=CC=C4)C(F)(F)F)N)C#N)C5=CC=CC=C5)C(=O)C1)C
InChI=1SC28H24F3N5OS2c127(2)122023(21(37)1327)22(178435917)19(1432)24(33)36(20)25343526(3925)381516761018(1116)28(2930)31h31122H12131533H212H3
MFCD05258583
ZINC000098006253
ZINC000098006254
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