Vitas-M small molecule compound

methyl 3-nitro-5-[(4-phenylpiperazin-1-yl)carbonyl]benzoate

Catalog ID
STK069217
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)N1CCN(CC1)c1ccccc1

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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 C19H19N3O5 MW 369.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O5/c1-27-19(24)15-11-14(12-17(13-15)22(25)26)18(23)21-9-7-20(8-10-21)16-5-3-2-4-6-16/h2-6,11-13H,7-10H2,1H3
InChIKey
LSNRHGUSUAJJSV-UHFFFAOYSA-N
Synonyms
328284-53-3
328284533
3NITRO5(4PHENYLPIPERAZINE1CARBONYL)BENZOICACIDMETHYLESTER
COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3)(N+)(=O)(O)
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)N1CCN(CC1)c1ccccc1
InChI=1SC19H19N3O5c12719(24)151114(1217(1315)22(25)26)18(23)219720(81021)165324616h261113H710H21H3
METHYL3NITRO5((4PHENYL1PIPERAZINYL)CARBONYL)BENZOATE
METHYL3NITRO5((4PHENYLPIPERAZIN1YL)CARBONYL)BENZOATE
METHYL3NITRO5(4PHENYLPIPERAZINE1CARBONYL)BENZOATE
METHYL5NITRO3((4PHENYLPIPERAZINYL)CARBONYL)BENZOATE
MFCD01196929
STK069217
ZINC000000841290
ZINC00841290
ZINC841290

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Available files

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