Vitas-M small molecule compound
ethyl 5-cyano-6-[(cyanomethyl)sulfanyl]-4-(3,4-dichlorophenyl)-2-propyl-4H-pyran-3-carboxylate
Catalog ID
STL324363
SMILES CCCC1=C(C(=O)OCC)C(C(=C(O1)SCC#N)C#N)c1ccc(c(c1)Cl)Cl
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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 C20H18Cl2N2O3S MW 437.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18Cl2N2O3S/c1-3-5-16-18(19(25)26-4-2)17(12-6-7-14(21)15(22)10-12)13(11-24)20(27-16)28-9-8-23/h6-7,10,17H,3-5,9H2,1-2H3InChIKey
ZYNSBNLGBBGWLE-UHFFFAOYSA-NSynonyms
370840-43-0370840430
CCCC1=C(C(C(=C(O1)SCC#N)C#N)C2=CC(=C(C=C2)Cl)Cl)C(=O)OCC
ethyl5cyano6((cyanomethyl)sulfanyl)4(34dichlorophenyl)2propyl4Hpyran3carboxylate
ethyl5cyano6((cyanomethyl)thio)4(34dichlorophenyl)2propyl4Hpyran3carboxylate
ETHYL5CYANO6(CYANOMETHYLSULFANYL)4(34DICHLOROPHENYL)2PROPYL4HPYRAN3CARBOXYLATE
InChI=1SC20H18Cl2N2O3Sc1351618(19(25)2642)17(126714(21)15(22)1012)13(1124)20(2716)289823h671017H359H212H3
MFCD01558277
ZINC000002229945
ZINC000002229947
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