Vitas-M small molecule compound

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

Catalog ID
STK078794
SMILES CCCCC1=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 C13H21F3N2O3 MW 310.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H21F3N2O3/c1-5-6-7-9-8-12(20,13(14,15)16)18(17-9)10(19)21-11(2,3)4/h20H,5-8H2,1-4H3
InChIKey
XHVSSBRSGMGNPB-UHFFFAOYSA-N
Synonyms

CCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)OC(C)(C)C
CCCCC1=NN(C(C1)(O)C(F)(F)F)C(=O)OC(C)(C)C
InChI=1SC13H21F3N2O3c15679812(2013(1415)16)18(179)10(19)2111(23)4h20H58H214H3
MFCD03034057
STK078794
TERTBUTYL3BUTYL5HYDROXY5(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOLE1CARBOXYLATE
tertbutyl3butyl5hydroxy5(trifluoromethyl)4Hpyrazole1carboxylate
ZINC000009660062
ZINC000009660064

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Available files

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