Vitas-M small molecule compound
2-(azepan-1-yl)-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine
Catalog ID
STK550840
SMILES Cc1cccc(c1)Nc1nc(nc(c1[N+](=O)[O-])N)N1CCCCCC1
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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/c1-12-7-6-8-13(11-12)19-16-14(23(24)25)15(18)20-17(21-16)22-9-4-2-3-5-10-22/h6-8,11H,2-5,9-10H2,1H3,(H3,18,19,20,21)InChIKey
VDFIOYNPYKISTO-UHFFFAOYSA-NSynonyms
840455-18-7(6AMINO2AZAPERHYDROEPINYL5NITROPYRIMIDIN4YL)(3METHYLPHENYL)AMINE
2(AZEPAN1YL)4N(3METHYLPHENYL)5NITROPYRIMIDINE46DIAMINE
2(azepan1yl)5nitroN4(mtolyl)pyrimidine46diamine
2(azepan1yl)N(3methylphenyl)5nitropyrimidine46diamine
840455187
CC1=CC(=CC=C1)NC2=NC(=NC(=C2(N+)(=O)(O))N)N3CCCCCC3
Cc1cccc(c1)Nc1nc(nc(c1(N+)(=O)(O))N)N1CCCCCC1
InChI=1SC17H22N6O2c11276813(1112)191614(23(24)25)15(18)2017(2116)22942351022h6811H25910H21H3(H318192021)
MFCD03693848
ZINC000005069740
ZINC05069740
ZINC5069740
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