Vitas-M small molecule compound

6-(3,4-dihydroquinolin-1(2H)-yl)-5-nitropyrimidin-4-amine

Catalog ID
STK944521
SMILES [O-][N+](=O)c1c(N)ncnc1N1CCCc2c1cccc2

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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 C13H13N5O2 MW 271.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N5O2/c14-12-11(18(19)20)13(16-8-15-12)17-7-3-5-9-4-1-2-6-10(9)17/h1-2,4,6,8H,3,5,7H2,(H2,14,15,16)
InChIKey
OCCYJZSHTZUFRY-UHFFFAOYSA-N
Synonyms
450345-81-0
(O)(N+)(=O)c1c(N)ncnc1N1CCCc2c1cccc2
6(34DIHYDRO2HQUINOLIN1YL)5NITROPYRIMIDIN4AMINE
6(34dihydroquinolin1(2H)yl)5nitropyrimidin4amine
C1CC2=CC=CC=C2N(C1)C3=C(C(=NC=N3)N)(N+)(=O)(O)
Registry IDs
MFCD04453146
ZINC000003912660
ZINC03912660
ZINC3912660

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Available files

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