Vitas-M small molecule compound

4-[(2E)-2-{2-[2-(3-methylphenoxy)ethoxy]-5-nitrobenzylidene}hydrazinyl]-2,6-di(pyrrolidin-1-yl)pyrimidine

Catalog ID
STK385854
SMILES Cc1cccc(c1)OCCOc1ccc(cc1/C=N/Nc1cc(nc(n1)N1CCCC1)N1CCCC1)[N+](=O)[O-]

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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 C28H33N7O4 MW 531.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N7O4/c1-21-7-6-8-24(17-21)38-15-16-39-25-10-9-23(35(36)37)18-22(25)20-29-32-26-19-27(33-11-2-3-12-33)31-28(30-26)34-13-4-5-14-34/h6-10,17-20H,2-5,11-16H2,1H3,(H,30,31,32)/b29-20+
InChIKey
MSFNJLWCCFGZDL-ZTKZIYFRSA-N
Synonyms

((1E)2(2(2(3METHYLPHENOXY)ETHOXY)5NITROPHENYL)1AZAVINYL)(26DIPYRROLIDINYLPYRIMIDIN4YL)AMINE
4((2E)2(2(2(3METHYLPHENOXY)ETHOXY)5NITROBENZYLIDENE)HYDRAZINYL)26DI(PYRROLIDIN1YL)PYRIMIDINE
CC1=CC(=CC=C1)OCCOC2=C(C=C(C=C2)(N+)(=O)(O))C=NNC3=NC(=NC(=C3)N4CCCC4)N5CCCC5
Cc1cccc(c1)OCCOc1ccc(cc1C=NNc1cc(nc(n1)N1CCCC1)N1CCCC1)(N+)(=O)(O)
InChI=1SC28H33N7O4c12176824(1721)381516392510923(35(36)37)1822(25)202932261927(3311231233)3128(3026)3413451434h6101720H251116H21H3(H303132)b2920+
MFCD03835082
N((E)(2(2(3METHYLPHENOXY)ETHOXY)5NITROPHENYL)METHYLIDENEAMINO)26DIPYRROLIDIN1YLPYRIMIDIN4AMINE
ZINC000008722613
ZINC33896728

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Available files

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