Vitas-M small molecule compound

1-[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]-2-(2-methoxyphenoxy)ethanone

Catalog ID
STK443743
SMILES COc1ccccc1OCC(=O)N1N=C(CC1(O)C(F)F)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 C14H16F2N2O4 MW 314.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16F2N2O4/c1-9-7-14(20,13(15)16)18(17-9)12(19)8-22-11-6-4-3-5-10(11)21-2/h3-6,13,20H,7-8H2,1-2H3
InChIKey
HWHXGMMZIDTLBR-UHFFFAOYSA-N
Synonyms

1(5(DIFLUOROMETHYL)5HYDROXY3METHYL(2PYRAZOLINYL))2(2METHOXYPHENOXY)ETHAN1ONE
1(5(difluoromethyl)5hydroxy3methyl45dihydro1Hpyrazol1yl)2(2methoxyphenoxy)ethanone
1(5(difluoromethyl)5hydroxy3methyl4Hpyrazol1yl)2(2methoxyphenoxy)ethanone
CC1=NN(C(C1)(C(F)F)O)C(=O)COC2=CC=CC=C2OC
InChI=1SC14H16F2N2O4c19714(2013(15)16)18(179)12(19)82211643510(11)212h361320H78H212H3
MFCD04054968
ZINC000001459698
ZINC000001459699

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Available files

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