Vitas-M small molecule compound

N-[2-(2-methylphenoxy)ethyl]-5-(3-methylpiperazin-1-yl)-2-nitroaniline

Catalog ID
STK672202
SMILES CC1NCCN(C1)c1ccc(c(c1)NCCOc1ccccc1C)[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 C20H26N4O3 MW 370.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O3/c1-15-5-3-4-6-20(15)27-12-10-22-18-13-17(7-8-19(18)24(25)26)23-11-9-21-16(2)14-23/h3-8,13,16,21-22H,9-12,14H2,1-2H3
InChIKey
SREIBAVSORWQCZ-UHFFFAOYSA-N
Synonyms

CC1CN(CCN1)C2=CC(=C(C=C2)(N+)(=O)(O))NCCOC3=CC=CC=C3C
CC1NCCN(C1)c1ccc(c(c1)NCCOc1ccccc1C)(N+)(=O)(O)
InChI=1SC20H26N4O3c115534620(15)27121022181317(7819(18)24(25)26)231192116(2)1423h3813162122H91214H212H3
MFCD00754906
N(2(2methylphenoxy)ethyl)5(3methylpiperazin1yl)2nitroaniline
ZINC000004117115
ZINC000004117117

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Available files

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