Vitas-M small molecule compound

2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-1H-isoindole-1,3(2H)-dione

Catalog ID
STL399804
SMILES [O-][N+](=O)c1c(C)nn(c1C)CN1C(=O)c2c(C1=O)cccc2

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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 C14H12N4O4 MW 300.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12N4O4/c1-8-12(18(21)22)9(2)17(15-8)7-16-13(19)10-5-3-4-6-11(10)14(16)20/h3-6H,7H2,1-2H3
InChIKey
QLEWOTQHOYRWLK-UHFFFAOYSA-N
Synonyms
1003359-06-5
(O)(N+)(=O)c1c(C)nn(c1C)CN1C(=O)c2c(C1=O)cccc2
1003359065
2((35DIMETHYL4NITRO1HPYRAZOL1YL)METHYL)1HISOINDOLE13(2H)DIONE
2((35DIMETHYL4NITROPYRAZOL1YL)METHYL)ISOINDOLE13DIONE
2((35DIMETHYL4NITROPYRAZOLYL)METHYL)BENZO(C)AZOLINE13DIONE
CC1=C(C(=NN1CN2C(=O)C3=CC=CC=C3C2=O)C)(N+)(=O)(O)
InChI=1SC14H12N4O4c1812(18(21)22)9(2)17(158)71613(19)10534611(10)14(16)20h36H7H212H3
MFCD04059186
ZINC000002808534
ZINC02808534
ZINC2808534

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Available files

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