Vitas-M small molecule compound

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

Catalog ID
STK860452
SMILES CCCCOc1ccc(cc1)c1c(C#N)c(N)nc(c1C#N)SCC(=O)OC

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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 C20H20N4O3S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3S/c1-3-4-9-27-14-7-5-13(6-8-14)18-15(10-21)19(23)24-20(16(18)11-22)28-12-17(25)26-2/h5-8H,3-4,9,12H2,1-2H3,(H2,23,24)
InChIKey
YRJFXNKRRSLRTN-UHFFFAOYSA-N
Synonyms
312757-94-1
312757941
CCCCOC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)OC)N)C#N
InChI=1SC20H20N4O3Sc134927147513(6814)1815(1021)19(23)2420(16(18)1122)281217(25)262h58H34912H212H3(H22324)
methyl((6amino4(4butoxyphenyl)35dicyanopyridin2yl)sulfanyl)acetate
methyl2((6amino4(4butoxyphenyl)35dicyanopyridin2yl)thio)acetate
METHYL2(6AMINO4(4BUTOXYPHENYL)35DICYANOPYRIDIN2YL)SULFANYLACETATE
MFCD00353076
ZINC000019805683
ZINC19805683

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Available files

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