Vitas-M small molecule compound

3-({[(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]acetyl}amino)-4-methylbenzoic acid

Catalog ID
STK500643
SMILES N#Cc1cc(C#N)c(nc1SCC(=O)Nc1cc(ccc1C)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 C17H13N5O3S MW 367.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N5O3S/c1-9-2-3-10(17(24)25)5-13(9)21-14(23)8-26-16-12(7-19)4-11(6-18)15(20)22-16/h2-5H,8H2,1H3,(H2,20,22)(H,21,23)(H,24,25)
InChIKey
WPMMCEPGBGVSDR-UHFFFAOYSA-N
Synonyms

3((((6amino35dicyanopyridin2yl)sulfanyl)acetyl)amino)4methylbenzoicacid
3((2(6amino35dicyanopyridin2yl)sulfanylacetyl)amino)4methylbenzoicacid
CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=C(C=C(C(=N2)N)C#N)C#N
InChI=1SC17H13N5O3Sc192310(17(24)25)513(9)2114(23)8261612(719)411(618)15(20)2216h25H8H21H3(H22022)(H2123)(H2425)
MFCD02018607
ZINC000030831892
ZINC30831892

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Available files

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