Vitas-M small molecule compound

methyl 4-[(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)methyl]benzoate

Catalog ID
STK298476
SMILES COC(=O)c1ccc(cc1)Cn1nc(c(c1C)[N+](=O)[O-])[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 C13H12N4O6 MW 320.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N4O6/c1-8-11(16(19)20)12(17(21)22)14-15(8)7-9-3-5-10(6-4-9)13(18)23-2/h3-6H,7H2,1-2H3
InChIKey
BABMIBQCFAFYFF-UHFFFAOYSA-N
Synonyms
402739-42-8
4(5METHYL34DINITROPYRAZOL1YLMETHYL)BENZOI
4(5METHYL34DINITROPYRAZOL1YLMETHYL)BENZOICACIDMETHYLESTER
402739428
CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OC)(N+)(=O)(O))(N+)(=O)(O)
COC(=O)c1ccc(cc1)Cn1nc(c(c1C)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC13H12N4O6c1811(16(19)20)12(17(21)22)1415(8)793510(649)13(18)232h36H7H212H3
METHYL4((5METHYL34DINITRO1HPYRAZOL1YL)METHYL)BENZOATE
METHYL4((5METHYL34DINITROPYRAZOL1YL)METHYL)BENZOATE
METHYL4((5METHYL34DINITROPYRAZOLYL)METHYL)BENZOATE
MFCD03469855
ZINC000004294270
ZINC04294270
ZINC4294270

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Available files

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