Vitas-M small molecule compound
5-({[1-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy}methyl)-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK307479
SMILES Cc1ccc(cc1)n1nc(cc1OCc1nnc(n1CCCN1CCOCC1)S)C(F)(F)F
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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 C21H25F3N6O2S MW 482.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25F3N6O2S/c1-15-3-5-16(6-4-15)30-19(13-17(27-30)21(22,23)24)32-14-18-25-26-20(33)29(18)8-2-7-28-9-11-31-12-10-28/h3-6,13H,2,7-12,14H2,1H3,(H,26,33)InChIKey
ZKVKYEDHADDUSL-UHFFFAOYSA-NSynonyms
1005563-28-91005563289
3((2(4METHYLPHENYL)5(TRIFLUOROMETHYL)PYRAZOL3YL)OXYMETHYL)4(3MORPHOLIN4YLPROPYL)1H124TRIAZOLE5THIONE
5(((1(4methylphenyl)3(trifluoromethyl)1Hpyrazol5yl)oxy)methyl)4(3(morpholin4yl)propyl)4H124triazole3thiol
5((1(4METHYLPHENYL)3(TRIFLUOROMETHYL)PYRAZOL5YLOXY)METHYL)4(3MORPHOLIN4YLPROPYL)124TRIAZOLE3THIOL
CC1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)OCC3=NNC(=S)N3CCCN4CCOCC4
InChI=1SC21H25F3N6O2Sc1153516(6415)3019(1317(2730)21(2223)24)321418252620(33)29(18)8272891131121028h3613H271214H21H3(H2633)
MFCD04053700
ZINC000020028656
ZINC20028656
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