Vitas-M small molecule compound
benzyl {[6-amino-3,5-dicyano-4-(3-fluorophenyl)pyridin-2-yl]sulfanyl}acetate
Catalog ID
STL059023
SMILES N#Cc1c(SCC(=O)OCc2ccccc2)nc(c(c1c1cccc(c1)F)C#N)N
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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 C22H15FN4O2S MW 418.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15FN4O2S/c23-16-8-4-7-15(9-16)20-17(10-24)21(26)27-22(18(20)11-25)30-13-19(28)29-12-14-5-2-1-3-6-14/h1-9H,12-13H2,(H2,26,27)InChIKey
PHHAPSQNKGVNBY-UHFFFAOYSA-NSynonyms
208254-33-5208254335
benzyl((6amino35dicyano4(3fluorophenyl)pyridin2yl)sulfanyl)acetate
benzyl2((6amino35dicyano4(3fluorophenyl)pyridin2yl)thio)acetate
BENZYL2(6AMINO35DICYANO4(3FLUOROPHENYL)PYRIDIN2YL)SULFANYLACETATE
C1=CC=C(C=C1)COC(=O)CSC2=C(C(=C(C(=N2)N)C#N)C3=CC(=CC=C3)F)C#N
InChI=1SC22H15FN4O2Sc231684715(916)2017(1024)21(26)2722(18(20)1125)301319(28)2912145213614h19H1213H2(H22627)
MFCD00745101
ZINC000020814454
ZINC20814454
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