Vitas-M small molecule compound
methyl 5-cyano-4-(2-nitrophenyl)-2-oxo-6-(prop-2-en-1-ylsulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate
Catalog ID
STK725789
SMILES C=CCSC1=C(C#N)C(C(C(=O)N1)C(=O)OC)c1ccccc1[N+](=O)[O-]
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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 C17H15N3O5S MW 373.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O5S/c1-3-8-26-16-11(9-18)13(14(15(21)19-16)17(22)25-2)10-6-4-5-7-12(10)20(23)24/h3-7,13-14H,1,8H2,2H3,(H,19,21)InChIKey
OBIQFQOKWJKEIW-UHFFFAOYSA-NSynonyms
C=CCSC1=C(C#N)C(C(C(=O)N1)C(=O)OC)c1ccccc1(N+)(=O)(O)
COC(=O)C1C(C(=C(NC1=O)SCC=C)C#N)C2=CC=CC=C2(N+)(=O)(O)
InChI=1SC17H15N3O5Sc138261611(918)13(14(15(21)1916)17(22)252)10645712(10)20(23)24h371314H18H22H3(H1921)
methyl5cyano4(2nitrophenyl)2oxo6(prop2en1ylsulfanyl)1234tetrahydropyridine3carboxylate
METHYL5CYANO4(2NITROPHENYL)2OXO6PROP2ENYLSULFANYL34DIHYDRO1HPYRIDINE3CARBOXYLATE
methyl6(allylthio)5cyano4(2nitrophenyl)2oxo1234tetrahydropyridine3carboxylate
MFCD01461545
ZINC000009110851
ZINC000016976223
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