Vitas-M small molecule compound
ethyl 2-({[3-cyano-4,6-dimethyl-5-(2-oxo-2-phenylethyl)pyridin-2-yl]sulfanyl}methyl)-5-hydroxy-1-benzofuran-3-carboxylate
Catalog ID
STK755548
SMILES CCOC(=O)c1c(CSc2nc(C)c(c(c2C#N)C)CC(=O)c2ccccc2)oc2c1cc(O)cc2
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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 C28H24N2O5S MW 500.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O5S/c1-4-34-28(33)26-21-12-19(31)10-11-24(21)35-25(26)15-36-27-22(14-29)16(2)20(17(3)30-27)13-23(32)18-8-6-5-7-9-18/h5-12,31H,4,13,15H2,1-3H3InChIKey
UMPVDKLBEPIBPK-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)CSC3=NC(=C(C(=C3C#N)C)CC(=O)C4=CC=CC=C4)C
ETHYL2(((3CYANO46DIMETHYL5(2OXO2PHENYLETHYL)2PYRIDINYL)SULFANYL)METHYL)5HYDROXY1BENZOFURAN3CARBOXYLATE
ethyl2(((3cyano46dimethyl5(2oxo2phenylethyl)pyridin2yl)sulfanyl)methyl)5hydroxy1benzofuran3carboxylate
ETHYL2((3CYANO46DIMETHYL5PHENACYLPYRIDIN2YL)SULFANYLMETHYL)5HYDROXY1BENZOFURAN3CARBOXYLATE
InChI=1SC28H24N2O5Sc143428(33)26211219(31)101124(21)3525(26)15362722(1429)16(2)20(17(3)3027)1323(32)188657918h51231H41315H213H3
MFCD00828399
ZINC000008442766
ZINC08442766
ZINC8442766
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