Vitas-M small molecule compound
butyl 2-hydroxy-4,6-dimethyl-5-nitropyridine-3-carboxylate
Catalog ID
STK767997
SMILES CCCCOC(=O)c1c(O)nc(c(c1C)[N+](=O)[O-])C
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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 C12H16N2O5 MW 268.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N2O5/c1-4-5-6-19-12(16)9-7(2)10(14(17)18)8(3)13-11(9)15/h4-6H2,1-3H3,(H,13,15)InChIKey
NSZBCBDQKDUTAG-UHFFFAOYSA-NSynonyms
2HYDROXY46DIMETHYL5NITRONICOTINICACIDBUTYLESTER
BUTYL2HYDROXY46DIMETHYL5NITRONICOTINATE
butyl2hydroxy46dimethyl5nitropyridine3carboxylate
BUTYL46DIMETHYL5NITRO2OXO1HPYRIDINE3CARBOXYLATE
CCCCOC(=O)C1=C(C(=C(NC1=O)C)(N+)(=O)(O))C
CCCCOC(=O)c1c(O)nc(c(c1C)(N+)(=O)(O))C
InChI=1SC12H16N2O5c14561912(16)97(2)10(14(17)18)8(3)1311(9)15h46H213H3(H1315)
MFCD03308582
ZINC000008856129
ZINC08856129
ZINC8856129
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