Vitas-M small molecule compound

2-{[6-amino-2-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]amino}ethanol

Catalog ID
STL050992
SMILES OCCNc1nc(nc(c1[N+](=O)[O-])N)N1CC(C)CC(C1)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 C13H22N6O3 MW 310.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H22N6O3/c1-8-5-9(2)7-18(6-8)13-16-11(14)10(19(21)22)12(17-13)15-3-4-20/h8-9,20H,3-7H2,1-2H3,(H3,14,15,16,17)
InChIKey
DUSXPQNWBUQICT-UHFFFAOYSA-N
Synonyms
714930-04-8
2((6amino2(35dimethylpiperidin1yl)5nitropyrimidin4yl)amino)ethanol
714930048
CC1CC(CN(C1)C2=NC(=C(C(=N2)NCCO)(N+)(=O)(O))N)C
InChI=1SC13H22N6O3c1859(2)718(68)131611(14)10(19(21)22)12(1713)153420h8920H37H212H3(H314151617)
MFCD05703192
OCCNc1nc(nc(c1(N+)(=O)(O))N)N1CC(C)CC(C1)C
ZINC000005516397
ZINC000013811305

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Available files

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