Vitas-M small molecule compound

4-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-nitrobenzyl]aniline

Catalog ID
STL355343
SMILES COc1ccc(cc1)NCc1ccc(c(c1)[N+](=O)[O-])N1CCC(CC1)C

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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 C20H25N3O3 MW 355.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O3/c1-15-9-11-22(12-10-15)19-8-3-16(13-20(19)23(24)25)14-21-17-4-6-18(26-2)7-5-17/h3-8,13,15,21H,9-12,14H2,1-2H3
InChIKey
PDVASQWQARKFPC-UHFFFAOYSA-N
Synonyms

4methoxyN((4(4methylpiperidin1yl)3nitrophenyl)methyl)aniline
4methoxyN(4(4methylpiperidin1yl)3nitrobenzyl)aniline
CC1CCN(CC1)C2=C(C=C(C=C2)CNC3=CC=C(C=C3)OC)(N+)(=O)(O)
COc1ccc(cc1)NCc1ccc(c(c1)(N+)(=O)(O))N1CCC(CC1)C
InChI=1SC20H25N3O3c11591122(121015)198316(1320(19)23(24)25)1421174618(262)7517h38131521H91214H212H3
MFCD24038254
ZINC000095117822
ZINC95117822

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Available files

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