Vitas-M small molecule compound

methyl 4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoate

Catalog ID
STK298513
SMILES COC(=O)c1ccc(cc1)Cn1ncc(c1)[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 C12H11N3O4 MW 261.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N3O4/c1-19-12(16)10-4-2-9(3-5-10)7-14-8-11(6-13-14)15(17)18/h2-6,8H,7H2,1H3
InChIKey
IFTJOIWPOCSFGB-UHFFFAOYSA-N
Synonyms
514800-69-2
4(4NITROPYRAZOL1YLMETHYL)BENZOICACIDMETHYL
4(4NITROPYRAZOL1YLMETHYL)BENZOICACIDMETHYLESTER
514800692
BENZOICACID4(4NITRO1PYRAZOLYLMETHYL)METHYLESTER
COC(=O)C1=CC=C(C=C1)CN2C=C(C=N2)(N+)(=O)(O)
COC(=O)c1ccc(cc1)Cn1ncc(c1)(N+)(=O)(O)
InChI=1SC12H11N3O4c11912(16)10429(3510)714811(61314)15(17)18h268H7H21H3
METHYL4((4NITRO1HPYRAZOL1YL)METHYL)BENZOATE
METHYL4((4NITROPYRAZOL1YL)METHYL)BENZOATE
METHYL4((4NITROPYRAZOLYL)METHYL)BENZOATE
MFCD02253782
ZINC000000373756
ZINC00373756
ZINC373756

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Available files

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