Vitas-M small molecule compound
3-tert-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde
Catalog ID
STK763727
SMILES O=CN1N=C(CC1(O)C(F)(F)F)C(C)(C)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 C9H13F3N2O2 MW 238.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H13F3N2O2/c1-7(2,3)6-4-8(16,9(10,11)12)14(5-15)13-6/h5,16H,4H2,1-3H3InChIKey
HEEFNVYWKGMWGW-UHFFFAOYSA-NSynonyms
381186-18-12PYRAZOLINE1CARBOXALDEHYDE5TRIFLUOROMETHYL5HYDROXY3(11DIMETHYLETHYL)
3(TERTBUTYL)5HYDROXY5(TRIFLUOROMETHYL)2PYRAZOLINECARBALDEHYDE
381186181
3tertbutyl5hydroxy5(trifluoromethyl)45dihydro1Hpyrazole1carbaldehyde
3TERTBUTYL5HYDROXY5(TRIFLUOROMETHYL)4HPYRAZOLE1CARBALDEHYDE
CC(C)(C)C1=NN(C(C1)(C(F)(F)F)O)C=O
InChI=1SC9H13F3N2O2c17(23)648(169(1011)12)14(515)136h516H4H213H3
MFCD02647423
ZINC000000032582
ZINC000000032583
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