Vitas-M small molecule compound

methyl (2E)-3,3,3-trifluoro-2-(5-methyl-1,3-benzoxathiol-2-ylidene)propanoate

Catalog ID
STK767358
SMILES COC(=O)/C(=C\1/Oc2c(S1)cc(cc2)C)/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 C12H9F3O3S MW 290.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9F3O3S/c1-6-3-4-7-8(5-6)19-11(18-7)9(10(16)17-2)12(13,14)15/h3-5H,1-2H3/b11-9+
InChIKey
OVTHURJGJPIRKW-PKNBQFBNSA-N
Synonyms

(2E)333TRIFLUORO2(5METHYL13BENZOXATHIOL2YLIDENE)PROPANOICACIDMETHYLESTER
(2E)333TRIFLUORO2(5METHYL13BENZOXATHIOL2YLIDENE)PROPIONICACIDMETHYLESTER
(Z)methyl333trifluoro2(5methylbenzo(d)(13)oxathiol2ylidene)propanoate
333TRIFLUORO2(5METHYLBENZO(13)OXATHIOL2YLIDENE)PROPIONICACIDMETHYLESTER
CC1=CC2=C(C=C1)OC(=C(C(=O)OC)C(F)(F)F)S2
COC(=O)C(=C1Oc2c(S1)cc(cc2)C)C(F)(F)F
InChI=1SC12H9F3O3Sc163478(56)1911(187)9(10(16)172)12(1314)15h35H12H3b119+
methyl(2E)333trifluoro2(5methyl13benzoxathiol2ylidene)propanoate
METHYL(2E)333TRIS(FLUORANYL)2(5METHYL13BENZOXATHIOL2YLIDENE)PROPANOATE
MFCD02167850
ZINC000001857183
ZINC01857183
ZINC1857183

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Available files

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