Vitas-M small molecule compound

ethyl 5-(2-nitrophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate

Catalog ID
STK753392
SMILES CCOC(=O)C1=NNC2C1C(=O)N(C2=O)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 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)7-5-3-4-6-8(7)18(22)23/h3-6,9-10,15H,2H2,1H3
InChIKey
QGIWAOBNUUUYCC-UHFFFAOYSA-N
Synonyms
313270-74-5
313270745
CCOC(=O)C1=NNC2C1C(=O)N(C2=O)c1ccccc1(N+)(=O)(O)
CCOC(=O)C1=NNC2C1C(=O)N(C2=O)C3=CC=CC=C3(N+)(=O)(O)
ethyl5(2nitrophenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
ETHYL5(2NITROPHENYL)46DIOXO3A6ADIHYDRO1HPYRROLO(34C)PYRAZOLE3CARBOXYLATE
InChI=1SC14H12N4O6c122414(21)11910(151611)13(20)17(12(9)19)753468(7)18(22)23h3691015H2H21H3
MFCD00685598
ZINC000004380166
ZINC000100048938

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Available files

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