Vitas-M small molecule compound

(3,5-dimethoxyphenyl)[4-(4-nitrobenzyl)piperazin-1-yl]methanone

Catalog ID
STK129948
SMILES COc1cc(OC)cc(c1)C(=O)N1CCN(CC1)Cc1ccc(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 C20H23N3O5 MW 385.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O5/c1-27-18-11-16(12-19(13-18)28-2)20(24)22-9-7-21(8-10-22)14-15-3-5-17(6-4-15)23(25)26/h3-6,11-13H,7-10,14H2,1-2H3
InChIKey
GEGIKKOQJRVKCM-UHFFFAOYSA-N
Synonyms
(35DIMETHOXYPHENYL)(4((4NITROPHENYL)METHYL)PIPERAZIN1YL)METHANONE
(35DIMETHOXYPHENYL)(4(4NITROBENZYL)PIPERAZIN1YL)METHANONE
1(35DIMETHOXYBENZOYL)4(4NITROBENZYL)PIPERAZINE
COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)(N+)(=O)(O))OC
COc1cc(OC)cc(c1)C(=O)N1CCN(CC1)Cc1ccc(cc1)(N+)(=O)(O)
Registry IDs
MFCD02105669
ZINC000019831636
ZINC19831636

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Available files

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