Vitas-M small molecule compound

tert-butyl 3-hexyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate

Catalog ID
STK040852
SMILES CCCCCCC1=NN(C(C1)(O)C(F)(F)F)C(=O)OC(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 C15H25F3N2O3 MW 338.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H25F3N2O3/c1-5-6-7-8-9-11-10-14(22,15(16,17)18)20(19-11)12(21)23-13(2,3)4/h22H,5-10H2,1-4H3
InChIKey
ZHXKMYXZNYITID-UHFFFAOYSA-N
Synonyms

CCCCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)OC(C)(C)C
CCCCCCC1=NN(C(C1)(O)C(F)(F)F)C(=O)OC(C)(C)C
InChI=1SC15H25F3N2O3c156789111014(2215(1617)18)20(1911)12(21)2313(23)4h22H510H214H3
MFCD03032677
STK040852
TERTBUTYL3HEXYL5HYDROXY5(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOLE1CARBOXYLATE
TERTBUTYL3HEXYL5HYDROXY5(TRIFLUOROMETHYL)4HPYRAZOLE1CARBOXYLATE
ZINC000004616658
ZINC000004616659

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.