Vitas-M small molecule compound

ethyl 6-amino-5-cyano-2-({[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyran-3-carboxylate

Catalog ID
STK536667
SMILES CCOC(=O)C1=C(CSc2nc(ccc2C#N)c2cccs2)OC(=C(C1c1ccc(cc1)SC)C#N)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 C27H22N4O3S3 MW 546.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O3S3/c1-3-33-27(32)24-21(15-37-26-17(13-28)8-11-20(31-26)22-5-4-12-36-22)34-25(30)19(14-29)23(24)16-6-9-18(35-2)10-7-16/h4-12,23H,3,15,30H2,1-2H3
InChIKey
MORWXJLTCFEYQZ-UHFFFAOYSA-N
Synonyms
340813-47-0
340813470
CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)SC)C#N)N)CSC3=C(C=CC(=N3)C4=CC=CS4)C#N
ETHYL6AMINO5CYANO2(((3CYANO6(2THIENYL)2PYRIDINYL)SULFANYL)METHYL)4(4(METHYLSULFANYL)PHENYL)4HPYRAN3CARBOXYLATE
ethyl6amino5cyano2(((3cyano6(thiophen2yl)pyridin2yl)sulfanyl)methyl)4(4(methylsulfanyl)phenyl)4Hpyran3carboxylate
ethyl6amino5cyano2(((3cyano6(thiophen2yl)pyridin2yl)thio)methyl)4(4(methylthio)phenyl)4Hpyran3carboxylate
ETHYL6AMINO5CYANO2(((3CYANO6THIOPHEN2YLPYRIDIN2YL)SULFANYL)METHYL)4(4(METHYLSULFANYL)PHENYL)4HPYRAN3CARBOXYLATE
ETHYL6AMINO5CYANO2((3CYANO6THIOPHEN2YLPYRIDIN2YL)SULFANYLMETHYL)4(4METHYLSULFANYLPHENYL)4HPYRAN3CARBOXYLATE
InChI=1SC27H22N4O3S3c133327(32)2421(15372617(1328)81120(3126)2254123622)3425(30)19(1429)23(24)166918(352)10716h41223H31530H212H3
MFCD00743871
ZINC000008443121
ZINC000008443123

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Available files

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