Vitas-M small molecule compound

5-nitro-N~2~-(2-phenylethyl)-6-(pyrrolidin-1-yl)pyrimidine-2,4-diamine

Catalog ID
STK858800
SMILES [O-][N+](=O)c1c(N)nc(nc1N1CCCC1)NCCc1ccccc1

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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 C16H20N6O2 MW 328.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N6O2/c17-14-13(22(23)24)15(21-10-4-5-11-21)20-16(19-14)18-9-8-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H3,17,18,19,20)
InChIKey
JRXRTSURSKFXIW-UHFFFAOYSA-N
Synonyms
673491-36-6
(4AMINO5NITRO6PYRROLIDINYLPYRIMIDIN2YL)(2PHENYLETHYL)AMINE
(O)(N+)(=O)c1c(N)nc(nc1N1CCCC1)NCCc1ccccc1
5nitro2N(2phenylethyl)6pyrrolidin1ylpyrimidine24diamine
5NITRO2NPHENETHYL6PYRROLIDIN1YLPYRIMIDINE24DIAMINE
5nitroN~2~(2phenylethyl)6(pyrrolidin1yl)pyrimidine24diamine
5NITRON2(2PHENYLETHYL)6(PYRROLIDIN1YL)PYRIMIDINE24DIAMINE
5nitroN2phenethyl6(pyrrolidin1yl)pyrimidine24diamine
673491366
C1CCN(C1)C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)(N+)(=O)(O)
InChI=1SC16H20N6O2c171413(22(23)24)15(2110451121)2016(1914)1898126213712h1367H45811H2(H317181920)
MFCD04072715
ZINC000004306213
ZINC04306213
ZINC4306213

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Available files

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