Vitas-M small molecule compound

methyl (2E)-3-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)sulfanyl]-2-(trifluoromethyl)prop-2-enoate

Catalog ID
STK767343
SMILES COC(=O)/C(=C(\Sc1cc(C)c(c(c1)C)O)/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 C13H12F4O3S MW 324.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12F4O3S/c1-6-4-8(5-7(2)10(6)18)21-11(14)9(12(19)20-3)13(15,16)17/h4-5,18H,1-3H3/b11-9+
InChIKey
WYVZUWOMKMJFHS-PKNBQFBNSA-N
Synonyms

(E)3FLUORO3((4HYDROXY35DIMETHYLPHENYL)THIO)2(TRIFLUOROMETHYL)2PROPENOICACIDMETHYLESTER
(E)3FLUORO3((4HYDROXY35DIMETHYLPHENYL)THIO)2(TRIFLUOROMETHYL)ACRYLICACIDMETHYLESTER
(Z)methyl3fluoro3((4hydroxy35dimethylphenyl)thio)2(trifluoromethyl)acrylate
3FLUORO3(4HYDROXY35DIMETHYLPHENYLSULFANYL)2TRIFLUOROMETHYLACRYLICACIDMETHYLESTER
CC1=CC(=CC(=C1O)C)SC(=C(C(=O)OC)C(F)(F)F)F
COC(=O)C(=C(Sc1cc(C)c(c(c1)C)O)F)C(F)(F)F
InChI=1SC13H12F4O3Sc1648(57(2)10(6)18)2111(14)9(12(19)203)13(1516)17h4518H13H3b119+
METHYL(2E)3FLUORO3((4HYDROXY35DIMETHYLPHENYL)SULFANYL)2(TRIFLUOROMETHYL)2PROPENOATE
METHYL(2E)3FLUORO3((4HYDROXY35DIMETHYLPHENYL)SULFANYL)2(TRIFLUOROMETHYL)PROP2ENOATE
METHYL(E)3(35DIMETHYL4OXIDANYLPHENYL)SULFANYL3FLUORANYL2(TRIFLUOROMETHYL)PROP2ENOATE
METHYL(E)3FLUORO3(4HYDROXY35DIMETHYLPHENYL)SULFANYL2(TRIFLUOROMETHYL)PROP2ENOATE
MFCD03016343
ZINC000001901996
ZINC01901996
ZINC1901996

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Available files

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