Vitas-M small molecule compound

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

Catalog ID
STK070894
SMILES CCOC(=O)N1N=C2C(C1(O)C(F)(F)F)CCCC2

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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 C11H15F3N2O3 MW 280.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H15F3N2O3/c1-2-19-9(17)16-10(18,11(12,13)14)7-5-3-4-6-8(7)15-16/h7,18H,2-6H2,1H3
InChIKey
RBNSTFFOWYGZFB-UHFFFAOYSA-N
Synonyms
358355-90-5
358355905
CCOC(=O)N1C(C2CCCCC2=N1)(C(F)(F)F)O
CCOC(=O)N1N=C2C(C1(O)C(F)(F)F)CCCC2
ethyl3hydroxy3(trifluoromethyl)33a4567hexahydro2Hindazole2carboxylate
ethyl3hydroxy3(trifluoromethyl)4567tetrahydro3aHindazole2carboxylate
InChI=1SC11H15F3N2O3c12199(17)1610(1811(1213)14)753468(7)1516h718H26H21H3
MFCD01909221
STK070894
ZINC000000435996
ZINC000000436000

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Available files

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