Vitas-M small molecule compound

methyl 3-{[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl}-5-nitrobenzoate

Catalog ID
STK006922
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)N1CCN(CC1)c1ccccc1OC

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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 C20H21N3O6 MW 399.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O6/c1-28-18-6-4-3-5-17(18)21-7-9-22(10-8-21)19(24)14-11-15(20(25)29-2)13-16(12-14)23(26)27/h3-6,11-13H,7-10H2,1-2H3
InChIKey
MVKXRBMTBWLGKK-UHFFFAOYSA-N
Synonyms
328284-54-4
328284544
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)N1CCN(CC1)c1ccccc1OC
COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC(=C3)(N+)(=O)(O))C(=O)OC
InChI=1SC20H21N3O6c12818643517(18)217922(10821)19(24)141115(20(25)292)1316(1214)23(26)27h361113H710H212H3
METHYL3((4(2METHOXYPHENYL)PIPERAZIN1YL)CARBONYL)5NITROBENZOATE
METHYL3((4(2METHOXYPHENYL)PIPERAZINYL)CARBONYL)5NITROBENZOATE
METHYL3(4(2METHOXYPHENYL)PIPERAZINE1CARBONYL)5NITROBENZOATE
MFCD01196930
STK006922
ZINC000000841292
ZINC00841292
ZINC841292

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Available files

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