Vitas-M small molecule compound
1-(azepan-1-yl)-2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone
Catalog ID
STK342612
SMILES O=C(N1CCCCCC1)Cn1nc(c(c1C)Br)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 C13H17BrF3N3O MW 368.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17BrF3N3O/c1-9-11(14)12(13(15,16)17)18-20(9)8-10(21)19-6-4-2-3-5-7-19/h2-8H2,1H3InChIKey
DLZNUTCESSVRRL-UHFFFAOYSA-NSynonyms
361181-31-91(AZEPAN1YL)2(4BROMO5METHYL3(TRIFLUOROMETHYL)1HPYRAZOL1YL)ETHAN1ONE
1(azepan1yl)2(4bromo5methyl3(trifluoromethyl)1Hpyrazol1yl)ethanone
1(AZEPAN1YL)2(4BROMO5METHYL3(TRIFLUOROMETHYL)PYRAZOL1YL)ETHANONE
1AZAPERHYDROEPINYL2(4BROMO5METHYL3(TRIFLUOROMETHYL)PYRAZOLYL)ETHAN1ONE
1AZEPAN1YL2(4BROMO5METHYL3TRIFLUOROMETHYLPYRAZOL1YL)ETHANONE
361181319
CC1=C(C(=NN1CC(=O)N2CCCCCC2)C(F)(F)F)Br
InChI=1SC13H17BrF3N3Oc1911(14)12(13(1516)17)1820(9)810(21)1964235719h28H21H3
MFCD00996944
ZINC000000826496
ZINC00826496
ZINC826496
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