Vitas-M small molecule compound
ethyl 3-{3-amino-4-cyano-5-[(3,4-difluorobenzyl)sulfanyl]thiophen-2-yl}-3-oxopropanoate
Catalog ID
STK661254
SMILES CCOC(=O)CC(=O)c1sc(c(c1N)C#N)SCc1ccc(c(c1)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 C17H14F2N2O3S2 MW 396.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14F2N2O3S2/c1-2-24-14(23)6-13(22)16-15(21)10(7-20)17(26-16)25-8-9-3-4-11(18)12(19)5-9/h3-5H,2,6,8,21H2,1H3InChIKey
PUCXZVHZQVWBAK-UHFFFAOYSA-NSynonyms
1043384-77-51043384775
CCOC(=O)CC(=O)C1=C(C(=C(S1)SCC2=CC(=C(C=C2)F)F)C#N)N
ethyl3(3amino4cyano5((34difluorobenzyl)sulfanyl)thiophen2yl)3oxopropanoate
ethyl3(3amino4cyano5((34difluorobenzyl)thio)thiophen2yl)3oxopropanoate
ethyl3(3amino4cyano5((34difluorophenyl)methylsulfanyl)thiophen2yl)3oxopropanoate
ETHYL3(3AMINO5((34DIFLUOROPHENYL)METHYLTHIO)4CYANO(2THIENYL))3OXOPROPANOATE
InChI=1SC17H14F2N2O3S2c122414(23)613(22)1615(21)10(720)17(2616)25893411(18)12(19)59h35H26821H21H3
MFCD13759347
ZINC000036360126
ZINC36360126
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