Vitas-M small molecule compound
methyl 3,3,3-trifluoro-2-hydroxy-2-[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]propanoate
Catalog ID
STK768318
SMILES COC(=O)C(C(F)(F)F)(c1cc(C(C)C)c(cc1C)O)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 C14H17F3O4 MW 306.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17F3O4/c1-7(2)9-6-10(8(3)5-11(9)18)13(20,12(19)21-4)14(15,16)17/h5-7,18,20H,1-4H3InChIKey
KLUDYEDVPCSAFS-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1C(C(=O)OC)(C(F)(F)F)O)C(C)C)O
InChI=1SC14H17F3O4c17(2)9610(8(3)511(9)18)13(2012(19)214)14(1516)17h571820H14H3
methyl333trifluoro2hydroxy2(4hydroxy2methyl5(propan2yl)phenyl)propanoate
METHYL333TRIFLUORO2HYDROXY2(4HYDROXY2METHYL5PROPAN2YLPHENYL)PROPANOATE
MFCD03133863
ZINC000004141924
ZINC000004141925
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