Vitas-M small molecule compound
2-(4-chloro-1H-pyrazol-1-yl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]butan-1-one
Catalog ID
STK308567
SMILES CCC(n1ncc(c1)Cl)C(=O)N1N=C(CC1(O)C(F)(F)F)C
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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/c1-3-9(19-6-8(13)5-17-19)10(21)20-11(22,12(14,15)16)4-7(2)18-20/h5-6,9,22H,3-4H2,1-2H3InChIKey
USBPOHXVFCFSNO-UHFFFAOYSA-NSynonyms
1005644-37-01005644370
2(4chloro1Hpyrazol1yl)1(5hydroxy3methyl5(trifluoromethyl)45dihydro1Hpyrazol1yl)butan1one
2(4chloropyrazol1yl)1(5hydroxy3methyl5(trifluoromethyl)4Hpyrazol1yl)butan1one
CCC(C(=O)N1C(CC(=N1)C)(C(F)(F)F)O)N2C=C(C=N2)Cl
InChI=1SC12H14ClF3N4O2c139(1968(13)51719)10(21)2011(2212(1415)16)47(2)1820h56922H34H212H3
MFCD04132346
ZINC000006554831
ZINC000006555277
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