Vitas-M small molecule compound
5-(phenoxymethyl)-4-phenyl-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK663526
SMILES S=c1n(CN2CCN(CC2)c2cccc(c2)C(F)(F)F)nc(n1c1ccccc1)COc1ccccc1
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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 C27H26F3N5OS MW 525.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26F3N5OS/c28-27(29,30)21-8-7-11-23(18-21)33-16-14-32(15-17-33)20-34-26(37)35(22-9-3-1-4-10-22)25(31-34)19-36-24-12-5-2-6-13-24/h1-13,18H,14-17,19-20H2InChIKey
JAFLLZSWXQRZLN-UHFFFAOYSA-NSynonyms
3(PHENOXYMETHYL)4PHENYL1((4(3(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)METHYL)1H124TRIAZOLE5(4H)THIONE
5(PHENOXYMETHYL)4PHENYL2((4(3(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)METHYL)124TRIAZOLE3THIONE
5(phenoxymethyl)4phenyl2((4(3(trifluoromethyl)phenyl)piperazin1yl)methyl)24dihydro3H124triazole3thione
C1CN(CCN1CN2C(=S)N(C(=N2)COC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC(=C5)C(F)(F)F
InChI=1SC27H26F3N5OSc2827(2930)21871123(1821)33161432(151733)203426(37)35(2293141022)25(3134)193624125261324h11318H14171920H2
MFCD01304917
ZINC000055190153
ZINC55190153
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