Vitas-M small molecule compound
methyl 5-cyano-6-(methylsulfanyl)-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK891173
SMILES COC(=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 C15H13N3O5S MW 347.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N3O5S/c1-23-15(20)12-11(8-5-3-4-6-10(8)18(21)22)9(7-16)14(24-2)17-13(12)19/h3-6,11-12H,1-2H3,(H,17,19)InChIKey
OVUVFPKUNJCVCS-UHFFFAOYSA-NSynonyms
332050-89-2332050892
COC(=O)C1C(=O)NC(=C(C1c1ccccc1(N+)(=O)(O))C#N)SC
COC(=O)C1C(C(=C(NC1=O)SC)C#N)C2=CC=CC=C2(N+)(=O)(O)
InChI=1SC15H13N3O5Sc12315(20)1211(8534610(8)18(21)22)9(716)14(242)1713(12)19h361112H12H3(H1719)
methyl5cyano6(methylsulfanyl)4(2nitrophenyl)2oxo1234tetrahydropyridine3carboxylate
METHYL5CYANO6METHYLSULFANYL4(2NITROPHENYL)2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
METHYL5CYANO6METHYLTHIO4(2NITROPHENYL)2OXO134TRIHYDROPYRIDINE3CARBOXYLATE
MFCD00386250
ZINC000000189565
ZINC000000189572
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