Vitas-M small molecule compound
6-(azepan-1-yl)-N~2~-(4-methylphenyl)-5-nitropyrimidine-2,4-diamine
Catalog ID
STK889414
SMILES Cc1ccc(cc1)Nc1nc(N)c(c(n1)N1CCCCCC1)[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 C17H22N6O2 MW 342.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N6O2/c1-12-6-8-13(9-7-12)19-17-20-15(18)14(23(24)25)16(21-17)22-10-4-2-3-5-11-22/h6-9H,2-5,10-11H2,1H3,(H3,18,19,20,21)InChIKey
HYDJXZLDYNUEAL-UHFFFAOYSA-NSynonyms
672319-08-3(4AMINO6AZAPERHYDROEPINYL5NITROPYRIMIDIN2YL)(4METHYLPHENYL)AMINE
6(AZEPAN1YL)2N(4METHYLPHENYL)5NITROPYRIMIDINE24DIAMINE
6(azepan1yl)5nitroN2(ptolyl)pyrimidine24diamine
6(azepan1yl)N~2~(4methylphenyl)5nitropyrimidine24diamine
6(AZEPAN1YL)N2(4METHYLPHENYL)5NITROPYRIMIDINE24DIAMINE
672319083
CC1=CC=C(C=C1)NC2=NC(=C(C(=N2)N)(N+)(=O)(O))N3CCCCCC3
Cc1ccc(cc1)Nc1nc(N)c(c(n1)N1CCCCCC1)(N+)(=O)(O)
InChI=1SC17H22N6O2c1126813(9712)19172015(18)14(23(24)25)16(2117)221042351122h69H251011H21H3(H318192021)
MFCD04073820
ZINC000005157833
ZINC05157833
ZINC5157833
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