Vitas-M small molecule compound

methyl 3-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}-5-nitrobenzoate

Catalog ID
STK033052
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)N1CCN(CC1)c1ccc(cc1)F

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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 C19H18FN3O5 MW 387.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18FN3O5/c1-28-19(25)14-10-13(11-17(12-14)23(26)27)18(24)22-8-6-21(7-9-22)16-4-2-15(20)3-5-16/h2-5,10-12H,6-9H2,1H3
InChIKey
GGEUSMBSPSIOAN-UHFFFAOYSA-N
Synonyms
329931-89-7
3(4(4FLUOROPHENYL)PIPERAZINE1CARBONYL)5NITROBENZOICACIDMETHYLESTER
329931897
COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F)(N+)(=O)(O)
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)N1CCN(CC1)c1ccc(cc1)F
InChI=1SC19H18FN3O5c12819(25)141013(1117(1214)23(26)27)18(24)228621(7922)164215(20)3516h251012H69H21H3
METHYL3((4(4FLUOROPHENYL)PIPERAZIN1YL)CARBONYL)5NITROBENZOATE
METHYL3((4(4FLUOROPHENYL)PIPERAZINYL)CARBONYL)5NITROBENZOATE
METHYL3(4(4FLUOROPHENYL)PIPERAZINE1CARBONYL)5NITROBENZOATE
MFCD01196928
STK033052
ZINC000000841288
ZINC00841288
ZINC841288

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Available files

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