Vitas-M small molecule compound
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)-5-nitropyrimidine-4,6-diamine
Catalog ID
STK557451
SMILES [O-][N+](=O)c1c(Nc2ccc(c(c2)C)C)nc(nc1N)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 C18H24N6O2 MW 356.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24N6O2/c1-12-7-8-14(11-13(12)2)20-17-15(24(25)26)16(19)21-18(22-17)23-9-5-3-4-6-10-23/h7-8,11H,3-6,9-10H2,1-2H3,(H3,19,20,21,22)InChIKey
WUQKBTMBQAGYFG-UHFFFAOYSA-NSynonyms
578750-52-4(6AMINO2AZAPERHYDROEPINYL5NITROPYRIMIDIN4YL)(34DIMETHYLPHENYL)AMINE
(O)(N+)(=O)c1c(Nc2ccc(c(c2)C)C)nc(nc1N)N1CCCCCC1
2(AZEPAN1YL)4N(34DIMETHYLPHENYL)5NITROPYRIMIDINE46DIAMINE
2(azepan1yl)N(34dimethylphenyl)5nitropyrimidine46diamine
2(azepan1yl)N4(34dimethylphenyl)5nitropyrimidine46diamine
578750524
CC1=C(C=C(C=C1)NC2=NC(=NC(=C2(N+)(=O)(O))N)N3CCCCCC3)C
InChI=1SC18H24N6O2c1127814(1113(12)2)201715(24(25)26)16(19)2118(2217)23953461023h7811H36910H212H3(H319202122)
MFCD04025480
ZINC000005033575
ZINC05033575
ZINC5033575
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