Vitas-M small molecule compound

tert-butyl 3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carboxylate

Catalog ID
STK018348
SMILES O=C(N1N=C2C(C1(O)C(F)(F)F)CCCC2)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 C13H19F3N2O3 MW 308.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H19F3N2O3/c1-11(2,3)21-10(19)18-12(20,13(14,15)16)8-6-4-5-7-9(8)17-18/h8,20H,4-7H2,1-3H3
InChIKey
UWOAYIAEAJFPCM-UHFFFAOYSA-N
Synonyms

CC(C)(C)OC(=O)N1C(C2CCCCC2=N1)(C(F)(F)F)O
InChI=1SC13H19F3N2O3c111(23)2110(19)1812(2013(1415)16)864579(8)1718h820H47H213H3
MFCD02067874
O=C(N1N=C2C(C1(O)C(F)(F)F)CCCC2)OC(C)(C)C
STK018348
tertbutyl3hydroxy3(trifluoromethyl)33a4567hexahydro2Hindazole2carboxylate
tertbutyl3hydroxy3(trifluoromethyl)4567tetrahydro3aHindazole2carboxylate
ZINC000000237550
ZINC000000237559

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Available files

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