Vitas-M small molecule compound

N-[2-(3-methoxyphenoxy)ethyl]-5-(4-methylpiperazin-1-yl)-2-nitroaniline

Catalog ID
STK016677
SMILES COc1cccc(c1)OCCNc1cc(ccc1[N+](=O)[O-])N1CCN(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 C20H26N4O4 MW 386.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O4/c1-22-9-11-23(12-10-22)16-6-7-20(24(25)26)19(14-16)21-8-13-28-18-5-3-4-17(15-18)27-2/h3-7,14-15,21H,8-13H2,1-2H3
InChIKey
FGVSCDYMZJJBRE-UHFFFAOYSA-N
Synonyms

CN1CCN(CC1)C2=CC(=C(C=C2)(N+)(=O)(O))NCCOC3=CC=CC(=C3)OC
COc1cccc(c1)OCCNc1cc(ccc1(N+)(=O)(O))N1CCN(CC1)C
InChI=1SC20H26N4O4c12291123(121022)166720(24(25)26)19(1416)21813281853417(1518)272h37141521H813H212H3
MFCD00763700
N(2(3METHOXYPHENOXY)ETHYL)5(4METHYLPIPERAZIN1YL)2NITROANILINE
STK016677
ZINC000004560931
ZINC4560931

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Available files

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