Vitas-M small molecule compound
ethyl 2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate
Catalog ID
STK682831
SMILES CCOC(=O)c1c(CSc2nc(C)cc(c2C#N)C)oc2c1c(CN(C)C)c(cc2)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 C23H25N3O4S MW 439.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O4S/c1-6-29-23(28)21-19(12-31-22-15(10-24)13(2)9-14(3)25-22)30-18-8-7-17(27)16(20(18)21)11-26(4)5/h7-9,27H,6,11-12H2,1-5H3InChIKey
XPJROSVEFDGAFS-UHFFFAOYSA-NSynonyms
2(((3CYANO46DIMETHYL2PYRIDYL)THIO)METHYL)4((DIMETHYLAMINO)METHYL)5HYDROXYBENZOFURAN3CARBOXYLICACIDETHYLESTER
CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)CSC3=C(C(=CC(=N3)C)C)C#N
ethyl2(((3cyano46dimethylpyridin2yl)sulfanyl)methyl)4((dimethylamino)methyl)5hydroxy1benzofuran3carboxylate
ethyl2((3cyano46dimethylpyridin2yl)sulfanylmethyl)4((dimethylamino)methyl)5hydroxy1benzofuran3carboxylate
ETHYL2((3CYANO46DIMETHYLPYRIDIN2YL)SULFANYLMETHYL)4(DIMETHYLAMINOMETHYL)5HYDROXY1BENZOFURAN3CARBOXYLATE
InChI=1SC23H25N3O4Sc162923(28)2119(12312215(1024)13(2)914(3)2522)30188717(27)16(20(18)21)1126(4)5h7927H61112H215H3
MFCD04060935
ZINC000008892464
ZINC8892464
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