Vitas-M small molecule compound

methyl 3,3,3-trifluoro-2-(1H-indol-3-ylsulfanyl)-2-(trifluoromethyl)propanoate

Catalog ID
STK544651
SMILES COC(=O)C(C(F)(F)F)(C(F)(F)F)Sc1c[nH]c2c1cccc2

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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 C13H9F6NO2S MW 357.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9F6NO2S/c1-22-10(21)11(12(14,15)16,13(17,18)19)23-9-6-20-8-5-3-2-4-7(8)9/h2-6,20H,1H3
InChIKey
DYTMEBSAVISOHR-UHFFFAOYSA-N
Synonyms
184949-63-1
184949631
333TRIFLUORO2(1HINDOL3YLSULFANYL)2TRIFLUOROMETHYLPROPIONICACIDMETHYLESTER
COC(=O)C(C(F)(F)F)(C(F)(F)F)SC1=CNC2=CC=CC=C21
COC(=O)C(C(F)(F)F)(C(F)(F)F)Sc1c(nH)c2c1cccc2
InChI=1SC13H9F6NO2Sc12210(21)11(12(1415)1613(1718)19)239620853247(8)9h2620H1H3
methyl2((1Hindol3yl)thio)333trifluoro2(trifluoromethyl)propanoate
methyl333trifluoro2(1Hindol3ylsulfanyl)2(trifluoromethyl)propanoate
MFCD00788318
ZINC000002337735
ZINC02337735
ZINC2337735

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Available files

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