Vitas-M small molecule compound
ethyl 5-(acetyloxy)-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-1-benzofuran-3-carboxylate
Catalog ID
STK674768
SMILES CCOC(=O)c1c(CSc2nc(C)cc(c2C#N)C)oc2c1cc(cc2)OC(=O)C
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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 C22H20N2O5S MW 424.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O5S/c1-5-27-22(26)20-16-9-15(28-14(4)25)6-7-18(16)29-19(20)11-30-21-17(10-23)12(2)8-13(3)24-21/h6-9H,5,11H2,1-4H3InChIKey
MAEBDSNJDPNJRA-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C)CSC3=C(C(=CC(=N3)C)C)C#N
ETHYL5(ACETYLOXY)2(((3CYANO46DIMETHYLPYRIDIN2YL)SULFANYL)METHYL)1BENZOFURAN3CARBOXYLATE
ETHYL5ACETYLOXY2((3CYANO46DIMETHYLPYRIDIN2YL)SULFANYLMETHYL)1BENZOFURAN3CARBOXYLATE
InChI=1SC22H20N2O5Sc152722(26)2016915(2814(4)25)6718(16)2919(20)11302117(1023)12(2)813(3)2421h69H511H214H3
MFCD01121922
ZINC000012410659
ZINC12410659
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