Vitas-M small molecule compound
N~2~-(butan-2-yl)-N~4~-(4-methylphenyl)-5-nitropyrimidine-2,4,6-triamine
Catalog ID
STK549967
SMILES CCC(Nc1nc(Nc2ccc(cc2)C)c(c(n1)N)[N+](=O)[O-])C
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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 C15H20N6O2 MW 316.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H20N6O2/c1-4-10(3)17-15-19-13(16)12(21(22)23)14(20-15)18-11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3,(H4,16,17,18,19,20)InChIKey
ASWCLHBERNHUCB-UHFFFAOYSA-NSynonyms
840460-27-7(6AMINO2((METHYLPROPYL)AMINO)5NITROPYRIMIDIN4YL)(4METHYLPHENYL)AMINE
2NBUTAN2YL4N(4METHYLPHENYL)5NITROPYRIMIDINE246TRIAMINE
840460277
CCC(C)NC1=NC(=C(C(=N1)NC2=CC=C(C=C2)C)(N+)(=O)(O))N
CCC(Nc1nc(Nc2ccc(cc2)C)c(c(n1)N)(N+)(=O)(O))C
InChI=1SC15H20N6O2c1410(3)17151913(16)12(21(22)23)14(2015)1811759(2)6811h5810H4H213H3(H41617181920)
MFCD03695044
N~2~(butan2yl)N~4~(4methylphenyl)5nitropyrimidine246triamine
N2(BUTAN2YL)N4(4METHYLPHENYL)5NITROPYRIMIDINE246TRIAMINE
N2(secbutyl)5nitroN4(ptolyl)pyrimidine246triamine
ZINC000005091294
ZINC000005091297
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