Vitas-M small molecule compound

6-(4-benzylpiperidin-1-yl)-N~2~-(4-methylbenzyl)-5-nitropyrimidine-2,4-diamine

Catalog ID
STK557999
SMILES Cc1ccc(cc1)CNc1nc(N2CCC(CC2)Cc2ccccc2)c(c(n1)N)[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 C24H28N6O2 MW 432.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N6O2/c1-17-7-9-20(10-8-17)16-26-24-27-22(25)21(30(31)32)23(28-24)29-13-11-19(12-14-29)15-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3,(H3,25,26,27,28)
InChIKey
SUBZJVHNHBZNAP-UHFFFAOYSA-N
Synonyms
578700-19-3
(4AMINO5NITRO6(4BENZYLPIPERIDYL)PYRIMIDIN2YL)((4METHYLPHENYL)METHYL)AMINE
578700193
6(4BENZYLPIPERIDIN1YL)2N((4METHYLPHENYL)METHYL)5NITROPYRIMIDINE24DIAMINE
6(4benzylpiperidin1yl)N~2~(4methylbenzyl)5nitropyrimidine24diamine
6(4BENZYLPIPERIDIN1YL)N2(4METHYLBENZYL)5NITROPYRIMIDINE24DIAMINE
CC1=CC=C(C=C1)CNC2=NC(=C(C(=N2)N)(N+)(=O)(O))N3CCC(CC3)CC4=CC=CC=C4
Cc1ccc(cc1)CNc1nc(N2CCC(CC2)Cc2ccccc2)c(c(n1)N)(N+)(=O)(O)
InChI=1SC24H28N6O2c1177920(10817)1626242722(25)21(30(31)32)23(2824)29131119(121429)15185324618h21019H1116H21H3(H325262728)
MFCD03491727
ZINC000009313212
ZINC09313212
ZINC9313212

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Available files

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