Vitas-M small molecule compound
4-(2-fluorophenyl)-1-(5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Catalog ID
STK682861
SMILES O=C1CC(C2=C(N1c1nnc(s1)SCc1cccc(c1)C(F)(F)F)CCCC2=O)c1ccccc1F
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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 C25H19F4N3O2S2 MW 533.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19F4N3O2S2/c26-18-8-2-1-7-16(18)17-12-21(34)32(19-9-4-10-20(33)22(17)19)23-30-31-24(36-23)35-13-14-5-3-6-15(11-14)25(27,28)29/h1-3,5-8,11,17H,4,9-10,12-13H2InChIKey
OFLGADRXBWDMJW-UHFFFAOYSA-NSynonyms
4(2fluorophenyl)1(5((3(trifluoromethyl)benzyl)sulfanyl)134thiadiazol2yl)4678tetrahydroquinoline25(1H3H)dione
4(2fluorophenyl)1(5((3(trifluoromethyl)phenyl)methylsulfanyl)134thiadiazol2yl)4678tetrahydro3Hquinoline25dione
C1CC2=C(C(CC(=O)N2C3=NN=C(S3)SCC4=CC(=CC=C4)C(F)(F)F)C5=CC=CC=C5F)C(=O)C1
InChI=1SC25H19F4N3O2S2c2618821716(18)171221(34)32(19941020(33)22(17)19)23303124(3623)35131453615(1114)25(2728)29h13581117H49101213H2
MFCD04061025
ZINC000001445956
ZINC000001445957
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