Vitas-M small molecule compound
ethyl 5-cyano-6-(methylsulfanyl)-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK004225
SMILES CCOC(=O)C1C(=O)NC(=C(C1c1ccccc1[N+](=O)[O-])C#N)SC
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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 C16H15N3O5S MW 361.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O5S/c1-3-24-16(21)13-12(9-6-4-5-7-11(9)19(22)23)10(8-17)15(25-2)18-14(13)20/h4-7,12-13H,3H2,1-2H3,(H,18,20)InChIKey
CULVQCMQZDCVRE-UHFFFAOYSA-NSynonyms
370075-42-6370075426
CCOC(=O)C1C(=O)NC(=C(C1c1ccccc1(N+)(=O)(O))C#N)SC
CCOC(=O)C1C(C(=C(NC1=O)SC)C#N)C2=CC=CC=C2(N+)(=O)(O)
ethyl5cyano6(methylsulfanyl)4(2nitrophenyl)2oxo1234tetrahydropyridine3carboxylate
ethyl5cyano6(methylthio)4(2nitrophenyl)2oxo1234tetrahydropyridine3carboxylate
ETHYL5CYANO6METHYLSULFANYL4(2NITROPHENYL)2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
InChI=1SC16H15N3O5Sc132416(21)1312(9645711(9)19(22)23)10(817)15(252)1814(13)20h471213H3H212H3(H1820)
MFCD00376274
STK004225
ZINC000002350727
ZINC000002350732
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