Vitas-M small molecule compound

2-(4-benzylpiperazin-1-yl)-N-(2-methoxyphenyl)-5-nitropyrimidine-4,6-diamine

Catalog ID
STK557858
SMILES COc1ccccc1Nc1nc(nc(c1[N+](=O)[O-])N)N1CCN(CC1)Cc1ccccc1

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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 C22H25N7O3 MW 435.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N7O3/c1-32-18-10-6-5-9-17(18)24-21-19(29(30)31)20(23)25-22(26-21)28-13-11-27(12-14-28)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H3,23,24,25,26)
InChIKey
NUDSTHQSLZMZCY-UHFFFAOYSA-N
Synonyms
585555-61-9
(6AMINO5NITRO2(4BENZYLPIPERAZINYL)PYRIMIDIN4YL)(2METHOXYPHENYL)AMINE
2(4BENZYLPIPERAZIN1YL)4N(2METHOXYPHENYL)5NITROPYRIMIDINE46DIAMINE
2(4benzylpiperazin1yl)N(2methoxyphenyl)5nitropyrimidine46diamine
2(4benzylpiperazin1yl)N4(2methoxyphenyl)5nitropyrimidine46diamine
585555619
COC1=CC=CC=C1NC2=NC(=NC(=C2(N+)(=O)(O))N)N3CCN(CC3)CC4=CC=CC=C4
COc1ccccc1Nc1nc(nc(c1(N+)(=O)(O))N)N1CCN(CC1)Cc1ccccc1
InChI=1SC22H25N7O3c132181065917(18)242119(29(30)31)20(23)2522(2621)28131127(121428)15167324816h210H1115H21H3(H323242526)
MFCD04028257
ZINC000020328858
ZINC20328858

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Available files

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