Vitas-M small molecule compound

ethyl [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-hydroxyphenoxy]acetate

Catalog ID
STK768313
SMILES CCOC(=O)COc1ccc(c(c1)O)C(C(F)(F)F)(C(F)(F)F)O

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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 C13H12F6O5 MW 362.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12F6O5/c1-2-23-10(21)6-24-7-3-4-8(9(20)5-7)11(22,12(14,15)16)13(17,18)19/h3-5,20,22H,2,6H2,1H3
InChIKey
BQLVJAWHWRHIFD-UHFFFAOYSA-N
Synonyms

CCOC(=O)COC1=CC(=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O)O
ethyl(4(111333hexafluoro2hydroxypropan2yl)3hydroxyphenoxy)acetate
ETHYL2(3HYDROXY4(222TRIFLUORO1HYDROXY1(TRIFLUOROMETHYL)ETHYL)PHENOXY)ACETATE
ethyl2(4(111333hexafluoro2hydroxypropan2yl)3hydroxyphenoxy)acetate
InChI=1SC13H12F6O5c122310(21)6247348(9(20)57)11(2212(1415)16)13(1718)19h352022H26H21H3
MFCD03307724
ZINC000001089654
ZINC01089654
ZINC1089654

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Available files

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