Vitas-M small molecule compound
methyl 2-{difluoro[(6-hydroxy-1,3-benzodioxol-5-yl)sulfanyl]methyl}-3,3,3-trifluoropropanoate
Catalog ID
STK678735
SMILES COC(=O)C(C(Sc1cc2OCOc2cc1O)(F)F)C(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 C12H9F5O5S MW 360.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9F5O5S/c1-20-10(19)9(11(13,14)15)12(16,17)23-8-3-7-6(2-5(8)18)21-4-22-7/h2-3,9,18H,4H2,1H3InChIKey
APNIKOAEWLEPFY-UHFFFAOYSA-NSynonyms
33DIFLUORO3(6HYDROXYBENZO(13)DIOXOL5YLSULFANYL)2TRIFLUOROMETHYLPROPIONICACIDMETHYLESTER
COC(=O)C(C(F)(F)F)C(F)(F)SC1=C(C=C2C(=C1)OCO2)O
InChI=1SC12H9F5O5Sc12010(19)9(11(1314)15)12(1617)238376(25(8)18)214227h23918H4H21H3
methyl2(difluoro((6hydroxy13benzodioxol5yl)sulfanyl)methyl)333trifluoropropanoate
MFCD03294900
ZINC000004593639
ZINC000004593640
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