Vitas-M small molecule compound

methyl 4-{[3-cyano-4-(4-methoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-3-oxobutanoate

Catalog ID
STK582030
SMILES COC(=O)CC(=O)CSc1nc(cc(c1C#N)c1ccc(cc1)OC)c1cccs1

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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 C22H18N2O4S2 MW 438.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O4S2/c1-27-16-7-5-14(6-8-16)17-11-19(20-4-3-9-29-20)24-22(18(17)12-23)30-13-15(25)10-21(26)28-2/h3-9,11H,10,13H2,1-2H3
InChIKey
JPZJUHQIJVGZLZ-UHFFFAOYSA-N
Synonyms
445266-59-1
445266591
COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)CC(=O)OC)C3=CC=CS3
InChI=1SC22H18N2O4S2c127167514(6816)171119(204392920)2422(18(17)1223)301315(25)1021(26)282h3911H1013H212H3
METHYL4((3CYANO4(4(METHYLOXY)PHENYL)6THIEN2YLPYRIDIN2YL)SULFANYL)3OXOBUTANOATE
METHYL4((3CYANO4(4METHOXYPHENYL)6(2THIENYL)2PYRIDYL)SULFANYL)3OXOBUTANOATE
methyl4((3cyano4(4methoxyphenyl)6(thiophen2yl)pyridin2yl)sulfanyl)3oxobutanoate
methyl4((3cyano4(4methoxyphenyl)6(thiophen2yl)pyridin2yl)thio)3oxobutanoate
METHYL4(3CYANO4(4METHOXYPHENYL)6THIOPHEN2YLPYRIDIN2YL)SULFANYL3OXOBUTANOATE
MFCD02950261
ZINC000000660091
ZINC00660091
ZINC660091

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Available files

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