Vitas-M small molecule compound

2-[(6-amino-5-nitropyrimidin-4-yl)amino]butan-1-ol

Catalog ID
STK944443
SMILES CCC(Nc1ncnc(c1[N+](=O)[O-])N)CO

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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 C8H13N5O3 MW 227.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H13N5O3/c1-2-5(3-14)12-8-6(13(15)16)7(9)10-4-11-8/h4-5,14H,2-3H2,1H3,(H3,9,10,11,12)
InChIKey
DSZUQZJUTIBYRD-UHFFFAOYSA-N
Synonyms
450344-83-9
2((6amino5nitropyrimidin4yl)amino)butan1ol
450344839
CCC(CO)NC1=NC=NC(=C1(N+)(=O)(O))N
CCC(Nc1ncnc(c1(N+)(=O)(O))N)CO
InChI=1SC8H13N5O3c125(314)1286(13(15)16)7(9)104118h4514H23H21H3(H39101112)
MFCD03089309
ZINC000003912511
ZINC000003912512

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Available files

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