Vitas-M small molecule compound
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
Catalog ID
STK862681
SMILES O=c1cc(C)c(c(o1)C)C(=O)OCC(=O)c1ccc(c(c1)[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 C17H15NO7 MW 345.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15NO7/c1-9-4-5-12(7-13(9)18(22)23)14(19)8-24-17(21)16-10(2)6-15(20)25-11(16)3/h4-7H,8H2,1-3H3InChIKey
UBADWQUUVXVQHN-UHFFFAOYSA-NSynonyms
356079-52-2(2(4METHYL3NITROPHENYL)2OXOETHYL)24DIMETHYL6OXOPYRAN3CARBOXYLATE
2(4methyl3nitrophenyl)2oxoethyl46dimethyl2oxo2Hpyran5carboxylate
356079522
CC1=C(C=C(C=C1)C(=O)COC(=O)C2=C(OC(=O)C=C2C)C)(N+)(=O)(O)
InChI=1SC17H15NO7c194512(713(9)18(22)23)14(19)82417(21)1610(2)615(20)2511(16)3h47H8H213H3
MFCD02915864
O=c1cc(C)c(c(o1)C)C(=O)OCC(=O)c1ccc(c(c1)(N+)(=O)(O))C
ZINC000000083615
ZINC00083615
ZINC83615
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