Vitas-M small molecule compound

3-[difluoro(trifluoromethoxy)methyl]-5-methyl-1-(phenylsulfonyl)-4,5-dihydro-1H-pyrazol-5-ol

Catalog ID
STK112636
SMILES FC(C1=NN(C(C1)(C)O)S(=O)(=O)c1ccccc1)(OC(F)(F)F)F

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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 C12H11F5N2O4S MW 374.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11F5N2O4S/c1-10(20)7-9(11(13,14)23-12(15,16)17)18-19(10)24(21,22)8-5-3-2-4-6-8/h2-6,20H,7H2,1H3
InChIKey
YRIAXWPQQAOECK-UHFFFAOYSA-N
Synonyms

2(BENZENESULFONYL)5(DIFLUORO(TRIFLUOROMETHOXY)METHYL)3METHYL4HPYRAZOL3OL
3(DIFLUORO(TRIFLUOROMETHOXY)METHYL)5METHYL1(PHENYLSULFONYL)45DIHYDRO1HPYRAZOL5OL
CC1(CC(=NN1S(=O)(=O)C2=CC=CC=C2)C(OC(F)(F)F)(F)F)O
InChI=1SC12H11F5N2O4Sc110(20)79(11(1314)2312(1516)17)1819(10)24(2122)8532468h2620H7H21H3
MFCD04089623
ZINC000004124725
ZINC000004124726

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Available files

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