Vitas-M small molecule compound

ethyl {[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetate

Catalog ID
STK640748
SMILES CCOC(=O)CSC1=C(C#N)C(CC(=N1)O)c1ccc(c(c1)OCC)O

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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 C18H20N2O5S MW 376.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N2O5S/c1-3-24-15-7-11(5-6-14(15)21)12-8-16(22)20-18(13(12)9-19)26-10-17(23)25-4-2/h5-7,12,21H,3-4,8,10H2,1-2H3,(H,20,22)
InChIKey
ISYKQYVFFVLHBQ-UHFFFAOYSA-N
Synonyms

ethyl((3cyano4(3ethoxy4hydroxyphenyl)6hydroxy45dihydropyridin2yl)sulfanyl)acetate
ETHYL2((5CYANO4(3ETHOXY4HYDROXYPHENYL)2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
MFCD18162442
ZINC000000970662
ZINC000000970663

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Available files

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