Vitas-M small molecule compound

ethyl 4-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate

Catalog ID
STL006399
SMILES CCOC(=O)CC(=O)CSc1nc(cc(c1C#N)C(F)(F)F)c1ccc2c(c1)OCO2

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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 C20H15F3N2O5S MW 452.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15F3N2O5S/c1-2-28-18(27)6-12(26)9-31-19-13(8-24)14(20(21,22)23)7-15(25-19)11-3-4-16-17(5-11)30-10-29-16/h3-5,7H,2,6,9-10H2,1H3
InChIKey
SFKHIJWJOABWLL-UHFFFAOYSA-N
Synonyms
625376-79-6
625376796
CCOC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CC3=C(C=C2)OCO3)C(F)(F)F)C#N
ETHYL4((6(13BENZODIOXOL5YL)3CYANO4(TRIFLUOROMETHYL)2PYRIDINYL)SULFANYL)3OXOBUTANOATE
ETHYL4((6(13BENZODIOXOL5YL)3CYANO4(TRIFLUOROMETHYL)2PYRIDINYL)THIO)3OXOBUTANOATE
ethyl4((6(13benzodioxol5yl)3cyano4(trifluoromethyl)pyridin2yl)sulfanyl)3oxobutanoate
ethyl4((6(benzo(d)(13)dioxol5yl)3cyano4(trifluoromethyl)pyridin2yl)thio)3oxobutanoate
ETHYL4(6(13BENZODIOXOL5YL)3CYANO4(TRIFLUOROMETHYL)PYRIDIN2YL)SULFANYL3OXOBUTANOATE
InChI=1SC20H15F3N2O5Sc122818(27)612(26)9311913(824)14(20(2122)23)715(2519)11341617(511)30102916h357H26910H21H3
MFCD03730829
ZINC000002413480
ZINC02413480
ZINC2413480

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Available files

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