Vitas-M small molecule compound

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

Catalog ID
STK544752
SMILES COC(=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 C13H10N4O6 MW 318.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H10N4O6/c1-23-13(20)10-8-9(14-15-10)12(19)16(11(8)18)6-4-2-3-5-7(6)17(21)22/h2-5,8-9,14H,1H3
InChIKey
BXZOUIOQWPXVRO-UHFFFAOYSA-N
Synonyms
329912-34-7
329912347
COC(=O)C1=NNC2C1C(=O)N(C2=O)c1ccccc1(N+)(=O)(O)
COC(=O)C1=NNC2C1C(=O)N(C2=O)C3=CC=CC=C3(N+)(=O)(O)
InChI=1SC13H10N4O6c12313(20)1089(141510)12(19)16(11(8)18)642357(6)17(21)22h258914H1H3
methyl5(2nitrophenyl)46dioxo13a4566ahexahydropyrrolo(34c)pyrazole3carboxylate
METHYL5(2NITROPHENYL)46DIOXO3A6ADIHYDRO1HPYRROLO(34C)PYRAZOLE3CARBOXYLATE
MFCD01113560
ZINC000004380280
ZINC000100823043

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Available files

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