Vitas-M small molecule compound

6-(azepan-1-yl)-5-nitro-2-(pyrrolidin-1-yl)pyrimidin-4-amine

Catalog ID
STK889417
SMILES [O-][N+](=O)c1c(N)nc(nc1N1CCCCCC1)N1CCCC1

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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 C14H22N6O2 MW 306.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H22N6O2/c15-12-11(20(21)22)13(18-7-3-1-2-4-8-18)17-14(16-12)19-9-5-6-10-19/h1-10H2,(H2,15,16,17)
InChIKey
WLOOYZROPUMECS-UHFFFAOYSA-N
Synonyms
672317-05-4
(O)(N+)(=O)c1c(N)nc(nc1N1CCCCCC1)N1CCCC1
6(azepan1yl)5nitro2(pyrrolidin1yl)pyrimidin4amine
6(AZEPAN1YL)5NITRO2PYRROLIDIN1YLPYRIMIDIN4AMINE
6AZAPERHYDROEPINYL5NITRO2PYRROLIDINYLPYRIMIDINE4YLAMINE
C1CCCN(CC1)C2=C(C(=NC(=N2)N3CCCC3)N)(N+)(=O)(O)
Registry IDs
MFCD04073718
ZINC000005156962
ZINC05156962
ZINC5156962

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Available files

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