Vitas-M small molecule compound

2-(4-benzylpiperazin-1-yl)-N-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine

Catalog ID
STK555940
SMILES Cc1cc(ccc1C)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 C23H27N7O2 MW 433.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N7O2/c1-16-8-9-19(14-17(16)2)25-22-20(30(31)32)21(24)26-23(27-22)29-12-10-28(11-13-29)15-18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3,(H3,24,25,26,27)
InChIKey
WDBLHARWYHGDFA-UHFFFAOYSA-N
Synonyms
672919-59-4
2(4BENZYLPIPERAZIN1YL)4N(34DIMETHYLPHENYL)5NITROPYRIMIDINE46DIAMINE
2(4benzylpiperazin1yl)N(34dimethylphenyl)5nitropyrimidine46diamine
2(4benzylpiperazin1yl)N4(34dimethylphenyl)5nitropyrimidine46diamine
672919594
CC1=C(C=C(C=C1)NC2=NC(=NC(=C2(N+)(=O)(O))N)N3CCN(CC3)CC4=CC=CC=C4)C
Cc1cc(ccc1C)Nc1nc(nc(c1(N+)(=O)(O))N)N1CCN(CC1)Cc1ccccc1
InChI=1SC23H27N7O2c1168919(1417(16)2)252220(30(31)32)21(24)2623(2722)29121028(111329)15186435718h3914H101315H212H3(H324252627)
MFCD04014674
ZINC000020289771
ZINC20289771

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Available files

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