Vitas-M small molecule compound
ethyl 4-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}butanoate
Catalog ID
STL005636
SMILES CCOC(=O)CCCSc1nc(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 C20H17F3N2O4S MW 438.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17F3N2O4S/c1-2-27-18(26)4-3-7-30-19-13(10-24)14(20(21,22)23)9-15(25-19)12-5-6-16-17(8-12)29-11-28-16/h5-6,8-9H,2-4,7,11H2,1H3InChIKey
SMIPMVPBCNDYAV-UHFFFAOYSA-NSynonyms
625376-95-64(6BENZO(13)DIOXOL5YL3CYANO4TRIFLUOROMETHYLPYRIDIN2YLSULFANYL)BUTYRICACIDETHYLESTER
625376956
CCOC(=O)CCCSC1=C(C(=CC(=N1)C2=CC3=C(C=C2)OCO3)C(F)(F)F)C#N
ETHYL4((6(13BENZODIOXOL5YL)3CYANO4(TRIFLUOROMETHYL)2PYRIDINYL)SULFANYL)BUTANOATE
ethyl4((6(13benzodioxol5yl)3cyano4(trifluoromethyl)pyridin2yl)sulfanyl)butanoate
ethyl4((6(benzo(d)(13)dioxol5yl)3cyano4(trifluoromethyl)pyridin2yl)thio)butanoate
ETHYL4(6(13BENZODIOXOL5YL)3CYANO4(TRIFLUOROMETHYL)PYRIDIN2YL)SULFANYLBUTANOATE
ETHYL4(6(2HBENZO(34D)13DIOXOLEN5YL)3CYANO4(TRIFLUOROMETHYL)2PYRIDYLTHIO)BUTANOATE
InChI=1SC20H17F3N2O4Sc122718(26)437301913(1024)14(20(2122)23)915(2519)12561617(812)29112816h5689H24711H21H3
MFCD03697825
ZINC000008686949
ZINC08686949
ZINC8686949
Check stock
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Check stock on Vitas-MAvailable files
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