Vitas-M small molecule compound

methyl {[6-amino-4-(2-chlorophenyl)-3,5-dicyanopyridin-2-yl]sulfanyl}acetate

Catalog ID
STK887467
SMILES COC(=O)CSc1nc(N)c(c(c1C#N)c1ccccc1Cl)C#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 C16H11ClN4O2S MW 358.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11ClN4O2S/c1-23-13(22)8-24-16-11(7-19)14(10(6-18)15(20)21-16)9-4-2-3-5-12(9)17/h2-5H,8H2,1H3,(H2,20,21)
InChIKey
HWZOHGKHFUXCDK-UHFFFAOYSA-N
Synonyms

COC(=O)CSC1=C(C(=C(C(=N1)N)C#N)C2=CC=CC=C2Cl)C#N
InChI=1SC16H11ClN4O2Sc12313(22)8241611(719)14(10(618)15(20)2116)9423512(9)17h25H8H21H3(H22021)
methyl((6amino4(2chlorophenyl)35dicyanopyridin2yl)sulfanyl)acetate
methyl2(6amino4(2chlorophenyl)35dicyanopyridin2yl)sulfanylacetate
MFCD02999721
ZINC000040486448
ZINC40486448

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Available files

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