Vitas-M small molecule compound
ethyl 6-amino-5-cyano-2-methyl-4-(5-nitrothiophen-2-yl)-4H-pyran-3-carboxylate
Catalog ID
STK524793
SMILES CCOC(=O)C1=C(C)OC(=C(C1c1ccc(s1)[N+](=O)[O-])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 C14H13N3O5S MW 335.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13N3O5S/c1-3-21-14(18)11-7(2)22-13(16)8(6-15)12(11)9-4-5-10(23-9)17(19)20/h4-5,12H,3,16H2,1-2H3InChIKey
GPSNDLCTIVPUAZ-UHFFFAOYSA-NSynonyms
299200-73-0299200730
CCOC(=O)C1=C(C)OC(=C(C1c1ccc(s1)(N+)(=O)(O))C#N)N
CCOC(=O)C1=C(OC(=C(C1C2=CC=C(S2)(N+)(=O)(O))C#N)N)C
ETHYL(4R)6AMINO5CYANO2METHYL4(5NITROTHIOPHEN2YL)4HPYRAN3CARBOXYLATE
ethyl6amino5cyano2methyl4(5nitrothiophen2yl)4Hpyran3carboxylate
InChI=1SC14H13N3O5Sc132114(18)117(2)2213(16)8(615)12(11)94510(239)17(19)20h4512H316H212H3
MFCD00473041
ZINC000001820284
ZINC000001820285
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