Vitas-M small molecule compound
4-({[(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]acetyl}amino)benzoic acid
Catalog ID
STL426182
SMILES N#Cc1cc(C#N)c(nc1SCC(=O)Nc1ccc(cc1)C(=O)O)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 C16H11N5O3S MW 353.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11N5O3S/c17-6-10-5-11(7-18)15(21-14(10)19)25-8-13(22)20-12-3-1-9(2-4-12)16(23)24/h1-5H,8H2,(H2,19,21)(H,20,22)(H,23,24)InChIKey
KXEKYGXTGPXWSG-UHFFFAOYSA-NSynonyms
4((((6amino35dicyanopyridin2yl)sulfanyl)acetyl)amino)benzoicacid
4((2(6amino35dicyanopyridin2yl)sulfanylacetyl)amino)benzoicacid
C1=CC(=CC=C1C(=O)O)NC(=O)CSC2=C(C=C(C(=N2)N)C#N)C#N
InChI=1SC16H11N5O3Sc17610511(718)15(2114(10)19)25813(22)2012319(2412)16(23)24h15H8H2(H21921)(H2022)(H2324)
MFCD02320645
ZINC000216282498
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