Vitas-M small molecule compound

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

Catalog ID
STK845159
SMILES CCOc1ccc(cc1)Nc1nc(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 C23H27N7O3 MW 449.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N7O3/c1-2-33-19-10-8-18(9-11-19)25-22-20(30(31)32)21(24)26-23(27-22)29-14-12-28(13-15-29)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H3,24,25,26,27)
InChIKey
QUHCPARHRGPOJG-UHFFFAOYSA-N
Synonyms
674363-19-0
(6AMINO5NITRO2(4BENZYLPIPERAZINYL)PYRIMIDIN4YL)(4ETHOXYPHENYL)AMINE
2(4BENZYLPIPERAZIN1YL)4N(4ETHOXYPHENYL)5NITROPYRIMIDINE46DIAMINE
2(4benzylpiperazin1yl)N(4ethoxyphenyl)5nitropyrimidine46diamine
2(4BENZYLPIPERAZIN1YL)N4(4ETHOXYPHENYL)5NITROPYRIMIDINE46DIAMINE
674363190
CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2(N+)(=O)(O))N)N3CCN(CC3)CC4=CC=CC=C4
CCOc1ccc(cc1)Nc1nc(nc(c1(N+)(=O)(O))N)N1CCN(CC1)Cc1ccccc1
InChI=1SC23H27N7O3c12331910818(91119)252220(30(31)32)21(24)2623(2722)29141228(131529)16176435717h311H21216H21H3(H324252627)
MFCD04015049
ZINC000020289946
ZINC20289946

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Available files

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