Vitas-M small molecule compound
3-(4-chloro-1H-pyrazol-1-yl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-methylpropan-1-one
Catalog ID
STK309981
SMILES CC(C(=O)N1N=C(CC1(O)C(F)(F)F)C)Cn1ncc(c1)Cl
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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 C12H14ClF3N4O2 MW 338.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14ClF3N4O2/c1-7(5-19-6-9(13)4-17-19)10(21)20-11(22,12(14,15)16)3-8(2)18-20/h4,6-7,22H,3,5H2,1-2H3InChIKey
HOMMDKHRLDDIOG-UHFFFAOYSA-NSynonyms
1005624-91-81005624918
3(4chloro1Hpyrazol1yl)1(5hydroxy3methyl5(trifluoromethyl)45dihydro1Hpyrazol1yl)2methylpropan1one
3(4chloropyrazol1yl)1(5hydroxy3methyl5(trifluoromethyl)4Hpyrazol1yl)2methylpropan1one
CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C(C)CN2C=C(C=N2)Cl
InChI=1SC12H14ClF3N4O2c17(51969(13)41719)10(21)2011(2212(1415)16)38(2)1820h46722H35H212H3
MFCD04053925
ZINC000006394271
ZINC000006394943
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