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Vitas-M small molecule compound

6-(azepan-1-yl)-N~2~-(furan-2-ylmethyl)-5-nitropyrimidine-2,4-diamine

Catalog ID
STL352486
SMILES [O-][N+](=O)c1c(N)nc(nc1N1CCCCCC1)NCc1ccco1

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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 C15H20N6O3 MW 332.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H20N6O3/c16-13-12(21(22)23)14(20-7-3-1-2-4-8-20)19-15(18-13)17-10-11-6-5-9-24-11/h5-6,9H,1-4,7-8,10H2,(H3,16,17,18,19)
InChIKey
FNWQADSOYBNCTI-UHFFFAOYSA-N
Synonyms
673454-89-2
(4AMINO6(AZEPAN1YL)5NITROPYRIMIDIN2YL)(2FURFURYL)AMINE
(4AMINO6AZAPERHYDROEPINYL5NITROPYRIMIDIN2YL)(2FURYLMETHYL)AMINE
6(1AZEPANYL)N2(2FURANYLMETHYL)5NITROPYRIMIDINE24DIAMINE
6(AZEPAN1YL)2N(FURAN2YLMETHYL)5NITROPYRIMIDINE24DIAMINE
6(azepan1yl)N~2~(furan2ylmethyl)5nitropyrimidine24diamine
6(AZEPAN1YL)N2(FURAN2YLMETHYL)5NITROPYRIMIDINE24DIAMINE
673454892
6AZEPAN1YLN2(FURAN2YLMETHYL)5NITROPYRIMIDINE24DIAMINE
6AZEPAN1YLN2FURAN2YLMETHYL5NITROPYRIMIDINE24DIAMINE
C1CCCN(CC1)C2=C(C(=NC(=N2)NCC3=CC=CO3)N)(N+)(=O)(O)
InChI=1SC15H20N6O3c161312(21(22)23)14(2073124820)1915(1813)1710116592411h569H147810H2(H316171819)
MFCD04079244
ZINC000004305949
ZINC04305949
ZINC4305949

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Available files

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

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