Vitas-M small molecule compound

methyl {[4-(1,3-benzodioxol-5-yl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate

Catalog ID
STK887376
SMILES COC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc2c(c1)OCO2

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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 C16H14N2O5S MW 346.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O5S/c1-21-15(20)7-24-16-11(6-17)10(5-14(19)18-16)9-2-3-12-13(4-9)23-8-22-12/h2-4,10H,5,7-8H2,1H3,(H,18,19)
InChIKey
GOHSLRHFFHURLM-UHFFFAOYSA-N
Synonyms

COC(=O)CSC1=C(C(CC(=O)N1)C2=CC3=C(C=C2)OCO3)C#N
InChI=1SC16H14N2O5Sc12115(20)7241611(617)10(514(19)1816)9231213(49)2382212h2410H578H21H3(H1819)
methyl((4(13benzodioxol5yl)3cyano6oxo1456tetrahydropyridin2yl)sulfanyl)acetate
METHYL2((4(13BENZODIOXOL5YL)5CYANO2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
MFCD14709848
ZINC000000121851
ZINC000000121855

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Available files

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