Vitas-M small molecule compound

5-(4-methylpiperazin-1-yl)-2-nitro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]aniline

Catalog ID
STK068559
SMILES CN1CCN(CC1)c1ccc(c(c1)NC(C12CC3CC(C2)CC(C1)C3)C)[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 C23H34N4O2 MW 398.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H34N4O2/c1-16(23-13-17-9-18(14-23)11-19(10-17)15-23)24-21-12-20(3-4-22(21)27(28)29)26-7-5-25(2)6-8-26/h3-4,12,16-19,24H,5-11,13-15H2,1-2H3
InChIKey
OTXPFTWCIBMJHF-UHFFFAOYSA-N
Synonyms

(1ADAMANTAN1YLETHYL)(5(4METHYLPIPERAZIN1YL)2NITROPHENYL)AMINE
(ADAMANTANYLETHYL)(5(4METHYLPIPERAZINYL)2NITROPHENYL)AMINE
1(3((1(1ADAMANTYL)ETHYL)AMINO)4NITROPHENYL)4METHYLPIPERAZINE
5(4methylpiperazin1yl)2nitroN(1(tricyclo(3311~37~)dec1yl)ethyl)aniline
CC(C12CC3CC(C1)CC(C3)C2)NC4=C(C=CC(=C4)N5CCN(CC5)C)(N+)(=O)(O)
CN1CCN(CC1)c1ccc(c(c1)NC(C12CC3CC(C2)CC(C1)C3)C)(N+)(=O)(O)
InChI=1SC23H34N4O2c116(231317918(1423)1119(1017)1523)24211220(3422(21)27(28)29)267525(2)6826h3412161924H5111315H212H3
MFCD01789769
N(1((3r5r7r)adamantan1yl)ethyl)5(4methylpiperazin1yl)2nitroaniline
N(1(1ADAMANTYL)ETHYL)5(4METHYLPIPERAZIN1YL)2NITROANILINE
STK068559
ZINC000004455733
ZINC000004455734

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Available files

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