Vitas-M small molecule compound
ethyl 3-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}propanoate
Catalog ID
STL005825
SMILES CCOC(=O)CCSc1nc(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 C19H15F3N2O4S MW 424.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15F3N2O4S/c1-2-26-17(25)5-6-29-18-12(9-23)13(19(20,21)22)8-14(24-18)11-3-4-15-16(7-11)28-10-27-15/h3-4,7-8H,2,5-6,10H2,1H3InChIKey
JCKKUKMMDIAXPR-UHFFFAOYSA-NSynonyms
625376-94-53(6BENZO(13)DIOXOL5YL3CYANO4TRIFLUOROMETHYLPYRIDIN2YLSULFANYL)PROPIONICACIDETHYLESTER
625376945
CCOC(=O)CCSC1=C(C(=CC(=N1)C2=CC3=C(C=C2)OCO3)C(F)(F)F)C#N
ETHYL3((6(13BENZODIOXOL5YL)3CYANO4(TRIFLUOROMETHYL)2PYRIDINYL)SULFANYL)PROPANOATE
ethyl3((6(13benzodioxol5yl)3cyano4(trifluoromethyl)pyridin2yl)sulfanyl)propanoate
ethyl3((6(benzo(d)(13)dioxol5yl)3cyano4(trifluoromethyl)pyridin2yl)thio)propanoate
ETHYL3(6(13BENZODIOXOL5YL)3CYANO4(TRIFLUOROMETHYL)PYRIDIN2YL)SULFANYLPROPANOATE
ETHYL3(6(2HBENZO(34D)13DIOXOLEN5YL)3CYANO4(TRIFLUOROMETHYL)2PYRIDYLTHIO)PROPANOATE
InChI=1SC19H15F3N2O4Sc122617(25)56291812(923)13(19(2021)22)814(2418)11341516(711)28102715h3478H25610H21H3
MFCD03697824
ZINC000000663809
ZINC00663809
ZINC663809
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.