Vitas-M small molecule compound

methyl 3-acetyl-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylate

Catalog ID
STK536311
SMILES COC(=O)C1CN(N=C1C(=O)C)c1ccc(cc1)[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 C13H13N3O5 MW 291.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O5/c1-8(17)12-11(13(18)21-2)7-15(14-12)9-3-5-10(6-4-9)16(19)20/h3-6,11H,7H2,1-2H3
InChIKey
ZFVKTTBERGDBCI-UHFFFAOYSA-N
Synonyms

3ACETYL1(4NITROPHENYL)45DIHYDRO1HPYRAZOLE4CARBOXYLICACIDMETHYLESTER
CC(=O)C1=NN(CC1C(=O)OC)C2=CC=C(C=C2)(N+)(=O)(O)
COC(=O)C1CN(N=C1C(=O)C)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC13H13N3O5c18(17)1211(13(18)212)715(1412)93510(649)16(19)20h3611H7H212H3
methyl3acetyl1(4nitrophenyl)45dihydro1Hpyrazole4carboxylate
METHYL5ACETYL2(4NITROPHENYL)34DIHYDROPYRAZOLE4CARBOXYLATE
MFCD00762122
ZINC000004860387
ZINC000004860389

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Available files

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