Vitas-M small molecule compound

2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethanone

Catalog ID
STK338695
SMILES O=C(N1CCN(CC1)c1ccccc1)CSc1nc(cc(n1)C(F)(F)F)c1ccco1

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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 C21H19F3N4O2S MW 448.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19F3N4O2S/c22-21(23,24)18-13-16(17-7-4-12-30-17)25-20(26-18)31-14-19(29)28-10-8-27(9-11-28)15-5-2-1-3-6-15/h1-7,12-13H,8-11,14H2
InChIKey
DNDRVEHRFPURBU-UHFFFAOYSA-N
Synonyms
505058-22-0
2((4(furan2yl)6(trifluoromethyl)pyrimidin2yl)sulfanyl)1(4phenylpiperazin1yl)ethanone
2(4(2FURYL)6(TRIFLUOROMETHYL)PYRIMIDIN2YLTHIO)1(4PHENYLPIPERAZINYL)ETHAN1ONE
2(4(FURAN2YL)6(TRIFLUOROMETHYL)PYRIMIDIN2YL)SULFANYL1(4PHENYLPIPERAZIN1YL)ETHANONE
2(4FURAN2YL6TRIFLUOROMETHYLPYRIMIDIN2YLSULFANYL)1(4PHENYLPIPERAZIN1YL)ETHANONE
4(2FURYL)6(TRIFLUOROMETHYL)2PYRIMIDINYL2OXO2(4PHENYL1PIPERAZINYL)ETHYLSULFIDE
505058220
C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4
InChI=1SC21H19F3N4O2Sc2221(2324)181316(1774123017)2520(2618)311419(29)2810827(91128)155213615h171213H81114H2
MFCD02737309
ZINC000000901924
ZINC00901924
ZINC901924

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.