Vitas-M small molecule compound
2-({4-ethyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
Catalog ID
STK303485
SMILES CCn1c(SCC(=O)N2N=C(CC2(O)C(F)(F)F)C)nnc1c1cc(nn1C)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 C16H17F6N7O2S MW 485.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17F6N7O2S/c1-4-28-12(9-5-10(15(17,18)19)26-27(9)3)23-24-13(28)32-7-11(30)29-14(31,16(20,21)22)6-8(2)25-29/h5,31H,4,6-7H2,1-3H3InChIKey
SVPSSUYTIUZQGJ-UHFFFAOYSA-NSynonyms
1005698-13-41005698134
2((4ethyl5(1methyl3(trifluoromethyl)1Hpyrazol5yl)4H124triazol3yl)sulfanyl)1(5hydroxy3methyl5(trifluoromethyl)45dihydro1Hpyrazol1yl)ethanone
2((4ETHYL5(2METHYL5(TRIFLUOROMETHYL)PYRAZOL3YL)124TRIAZOL3YL)SULFANYL)1(5HYDROXY3METHYL5(TRIFLUOROMETHYL)4HPYRAZOL1YL)ETHANONE
CCN1C(=NN=C1SCC(=O)N2C(CC(=N2)C)(C(F)(F)F)O)C3=CC(=NN3C)C(F)(F)F
InChI=1SC16H17F6N7O2Sc142812(9510(15(1718)19)2627(9)3)232413(28)32711(30)2914(3116(2021)22)68(2)2529h531H467H213H3
MFCD04049313
ZINC000013958377
ZINC000013958380
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