Vitas-M small molecule compound

N~2~-(butan-2-yl)-N~4~-(2,5-dimethoxyphenyl)-5-nitropyrimidine-2,4,6-triamine

Catalog ID
STL059490
SMILES CCC(Nc1nc(Nc2cc(OC)ccc2OC)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 C16H22N6O4 MW 362.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22N6O4/c1-5-9(2)18-16-20-14(17)13(22(23)24)15(21-16)19-11-8-10(25-3)6-7-12(11)26-4/h6-9H,5H2,1-4H3,(H4,17,18,19,20,21)
InChIKey
PRNSIJYOJBHTBQ-UHFFFAOYSA-N
Synonyms
714240-03-6
(4AMINO6(25DIMETHOXYANILINO)5NITROPYRIMIDIN2YL)SECBUTYLAMINE
(6AMINO2((METHYLPROPYL)AMINO)5NITROPYRIMIDIN4YL)(25DIMETHOXYPHENYL)AMINE
2NBUTAN2YL4N(25DIMETHOXYPHENYL)5NITROPYRIMIDINE246TRIAMINE
714240036
CCC(C)NC1=NC(=C(C(=N1)NC2=C(C=CC(=C2)OC)OC)(N+)(=O)(O))N
CCC(Nc1nc(Nc2cc(OC)ccc2OC)c(c(n1)N)(N+)(=O)(O))C
InChI=1SC16H22N6O4c159(2)18162014(17)13(22(23)24)15(2116)1911810(253)6712(11)264h69H5H214H3(H41718192021)
MFCD05703243
N~2~(butan2yl)N~4~(25dimethoxyphenyl)5nitropyrimidine246triamine
N2(BUTAN2YL)N4(25DIMETHOXYPHENYL)5NITROPYRIMIDINE246TRIAMINE
N2(secbutyl)N4(25dimethoxyphenyl)5nitropyrimidine246triamine
N2BUTAN2YLN4(25DIMETHOXYPHENYL)5NITROPYRIMIDINE246TRIAMINE
NSECBUTYLN(25DIMETHOXYPHENYL)5NITROPYRIMIDINE246TRIAMINE
ZINC000005516403
ZINC000005516404

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.