Vitas-M small molecule compound
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]propan-1-one
Catalog ID
STL400135
SMILES CC(C(=O)N1N=CCC1(O)C(F)(F)F)n1nc(c(c1C)Cl)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 C12H11ClF6N4O2 MW 392.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11ClF6N4O2/c1-5-7(13)8(11(14,15)16)21-22(5)6(2)9(24)23-10(25,3-4-20-23)12(17,18)19/h4,6,25H,3H2,1-2H3InChIKey
NJWKRIIOCMNGGE-UHFFFAOYSA-NSynonyms
1005610-96-71005610967
2(4chloro5methyl3(trifluoromethyl)1Hpyrazol1yl)1(5hydroxy5(trifluoromethyl)45dihydro1Hpyrazol1yl)propan1one
2(4chloro5methyl3(trifluoromethyl)pyrazol1yl)1(5hydroxy5(trifluoromethyl)4Hpyrazol1yl)propan1one
CC1=C(C(=NN1C(C)C(=O)N2C(CC=N2)(C(F)(F)F)O)C(F)(F)F)Cl
InChI=1SC12H11ClF6N4O2c157(13)8(11(1415)16)2122(5)6(2)9(24)2310(25342023)12(1718)19h4625H3H212H3
MFCD04139936
ZINC000006921126
ZINC000006921132
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