Vitas-M small molecule compound

methyl 1-(4-methylbenzyl)-3-nitro-1H-pyrazole-5-carboxylate

Catalog ID
STK092683
SMILES COC(=O)c1cc(nn1Cc1ccc(cc1)C)[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 C13H13N3O4 MW 275.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O4/c1-9-3-5-10(6-4-9)8-15-11(13(17)20-2)7-12(14-15)16(18)19/h3-7H,8H2,1-2H3
InChIKey
DNFJIIVNICSFGM-UHFFFAOYSA-N
Synonyms
402614-11-3
2(4METHYLBENZYL)5NITRO2HPYRAZOLE3CARBOXYLICACIDMETHYLESTER
402614113
CC1=CC=C(C=C1)CN2C(=CC(=N2)(N+)(=O)(O))C(=O)OC
COC(=O)c1cc(nn1Cc1ccc(cc1)C)(N+)(=O)(O)
InChI=1SC13H13N3O4c193510(649)81511(13(17)202)712(1415)16(18)19h37H8H212H3
METHYL1((4METHYLPHENYL)METHYL)3NITROPYRAZOLE5CARBOXYLATE
METHYL1(4METHYLBENZYL)3NITRO1HPYRAZOLE5CARBOXYLATE
METHYL2((4METHYLPHENYL)METHYL)5NITROPYRAZOLE3CARBOXYLATE
MFCD03033943
STK092683
ZINC000001754258
ZINC01754258
ZINC1754258

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.