Vitas-M small molecule compound
4-phenyl-1-(5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Catalog ID
STK774589
SMILES O=C1CC(c2ccccc2)C2=C(N1c1nnc(s1)SCc1cccc(c1)C(F)(F)F)CCCC2=O
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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 C25H20F3N3O2S2 MW 515.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20F3N3O2S2/c26-25(27,28)17-9-4-6-15(12-17)14-34-24-30-29-23(35-24)31-19-10-5-11-20(32)22(19)18(13-21(31)33)16-7-2-1-3-8-16/h1-4,6-9,12,18H,5,10-11,13-14H2InChIKey
DFQDSECIOUZPGJ-UHFFFAOYSA-NSynonyms
4phenyl1(5((3(trifluoromethyl)benzyl)sulfanyl)134thiadiazol2yl)4678tetrahydroquinoline25(1H3H)dione
4phenyl1(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=C5)C(=O)C1
InChI=1SC25H20F3N3O2S2c2625(2728)1794615(1217)143424302923(3524)31191051120(32)22(19)18(1321(31)33)167213816h14691218H510111314H2
MFCD04061019
ZINC000001445950
ZINC000001445951
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