Vitas-M small molecule compound
ethyl 5-(4-nitrophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Catalog ID
STL000464
SMILES CCOC(=O)C1=NNC2C1C(=O)N(C2=O)c1ccc(cc1)[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 C14H12N4O6 MW 332.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12N4O6/c1-2-24-14(21)11-9-10(15-16-11)13(20)17(12(9)19)7-3-5-8(6-4-7)18(22)23/h3-6,9-10,15H,2H2,1H3InChIKey
UZVJOFBDWHHNLZ-UHFFFAOYSA-NSynonyms
82239-84-782239847
CCOC(=O)C1=NNC2C1C(=O)N(C2=O)c1ccc(cc1)(N+)(=O)(O)
CCOC(=O)C1=NNC2C1C(=O)N(C2=O)C3=CC=C(C=C3)(N+)(=O)(O)
ethyl5(4nitrophenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ETHYL5(4NITROPHENYL)46DIOXO3A6ADIHYDRO1HPYRROLO(34C)PYRAZOLE3CARBOXYLATE
InChI=1SC14H12N4O6c122414(21)11910(151611)13(20)17(12(9)19)7358(647)18(22)23h3691015H2H21H3
MFCD00687180
ZINC000004610899
ZINC000100510434
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