Vitas-M small molecule compound
6-(azepan-1-yl)-N~2~-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4-diamine
Catalog ID
STK556499
SMILES Cc1cc(ccc1C)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 C18H24N6O2 MW 356.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24N6O2/c1-12-7-8-14(11-13(12)2)20-18-21-16(19)15(24(25)26)17(22-18)23-9-5-3-4-6-10-23/h7-8,11H,3-6,9-10H2,1-2H3,(H3,19,20,21,22)InChIKey
YLAUIPRMZKBGFE-UHFFFAOYSA-NSynonyms
573709-35-0(4AMINO6AZAPERHYDROEPINYL5NITROPYRIMIDIN2YL)(34DIMETHYLPHENYL)AMINE
573709350
6(AZEPAN1YL)2N(34DIMETHYLPHENYL)5NITROPYRIMIDINE24DIAMINE
6(azepan1yl)N~2~(34dimethylphenyl)5nitropyrimidine24diamine
6(AZEPAN1YL)N2(34DIMETHYLPHENYL)5NITROPYRIMIDINE24DIAMINE
CC1=C(C=C(C=C1)NC2=NC(=C(C(=N2)N)(N+)(=O)(O))N3CCCCCC3)C
Cc1cc(ccc1C)Nc1nc(N)c(c(n1)N1CCCCCC1)(N+)(=O)(O)
InChI=1SC18H24N6O2c1127814(1113(12)2)20182116(19)15(24(25)26)17(2218)23953461023h7811H36910H212H3(H319202122)
MFCD04018377
ZINC000005030274
ZINC05030274
ZINC5030274
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