Vitas-M small molecule compound
3-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-3-oxopropanenitrile
Catalog ID
STL181960
SMILES N#CCC(=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 C8H8F3N3O2 MW 235.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H8F3N3O2/c1-5-4-7(16,8(9,10)11)14(13-5)6(15)2-3-12/h16H,2,4H2,1H3InChIKey
LJDWKJHVSBUOOF-UHFFFAOYSA-NSynonyms
827591-44-63(5hydroxy3methyl5(trifluoromethyl)45dihydro1Hpyrazol1yl)3oxopropanenitrile
3(5HYDROXY3METHYL5(TRIFLUOROMETHYL)4HPYRAZOL1YL)3OXOPROPANENITRILE
827591446
CC1=NN(C(C1)(C(F)(F)F)O)C(=O)CC#N
InChI=1SC8H8F3N3O2c1547(168(910)11)14(135)6(15)2312h16H24H21H3
MFCD04051449
ZINC000004487008
ZINC000004487009
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