Vitas-M small molecule compound

2-{2-[(6-amino-5-nitropyrimidin-4-yl)amino]ethoxy}ethanol

Catalog ID
STK944445
SMILES [O-][N+](=O)c1c(NCCOCCO)ncnc1N

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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 C8H13N5O4 MW 243.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H13N5O4/c9-7-6(13(15)16)8(12-5-11-7)10-1-3-17-4-2-14/h5,14H,1-4H2,(H3,9,10,11,12)
InChIKey
KNLYOGHWSCBSHM-UHFFFAOYSA-N
Synonyms
450344-75-9
(O)(N+)(=O)c1c(NCCOCCO)ncnc1N
2(2((6amino5nitropyrimidin4yl)amino)ethoxy)ethanol
450344759
C1=NC(=C(C(=N1)NCCOCCO)(N+)(=O)(O))N
InChI=1SC8H13N5O4c976(13(15)16)8(125117)1013174214h514H14H2(H39101112)
MFCD04453025
ZINC000003912500
ZINC03912500
ZINC3912500

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Available files

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