Vitas-M small molecule compound

4-nitrobenzyl 1-methyl-1H-pyrazole-5-carboxylate

Catalog ID
STK229050
SMILES [O-][N+](=O)c1ccc(cc1)COC(=O)c1ccnn1C

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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/c1-14-11(6-7-13-14)12(16)19-8-9-2-4-10(5-3-9)15(17)18/h2-7H,8H2,1H3
InChIKey
TYKXQRPSTXIHEJ-UHFFFAOYSA-N
Synonyms
917212-64-7
(4NITROPHENYL)METHYL1METHYLPYRAZOLE5CARBOXYLATE
(4NITROPHENYL)METHYL2METHYLPYRAZOLE3CARBOXYLATE
(O)(N+)(=O)c1ccc(cc1)COC(=O)c1ccnn1C
4NITROBENZYL1METHYL1HPYRAZOLE5CARBOXYLATE
917212647
CN1C(=CC=N1)C(=O)OCC2=CC=C(C=C2)(N+)(=O)(O)
InChI=1SC12H11N3O4c11411(671314)12(16)19892410(539)15(17)18h27H8H21H3
MFCD08559260
ZINC000004735013
ZINC04735013
ZINC4735013

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Available files

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