Vitas-M small molecule compound

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

Catalog ID
STK041219
SMILES Cc1cccc(c1)OCCOc1ccc(cc1/C=N/Nc1cc(nc(n1)N1CCCC1)N1CCCC1)Cl

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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 C28H33ClN6O2 MW 521.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33ClN6O2/c1-21-7-6-8-24(17-21)36-15-16-37-25-10-9-23(29)18-22(25)20-30-33-26-19-27(34-11-2-3-12-34)32-28(31-26)35-13-4-5-14-35/h6-10,17-20H,2-5,11-16H2,1H3,(H,31,32,33)/b30-20+
InChIKey
BKYYQDVPUMXATN-TWKHWXDSSA-N
Synonyms

4((2E)2(5CHLORO2(2(3METHYLPHENOXY)ETHOXY)BENZYLIDENE)HYDRAZINYL)26DI(PYRROLIDIN1YL)PYRIMIDINE
5CHLORO2(2(3METHYLPHENOXY)ETHOXY)BENZALDEHYDE(26DIPYRROLIDIN1YLPYRIMIDIN4YL)HYDRAZONE
CC1=CC(=CC=C1)OCCOC2=C(C=C(C=C2)Cl)C=NNC3=NC(=NC(=C3)N4CCCC4)N5CCCC5
Cc1cccc(c1)OCCOc1ccc(cc1C=NNc1cc(nc(n1)N1CCCC1)N1CCCC1)Cl
InChI=1SC28H33ClN6O2c12176824(1721)361516372510923(29)1822(25)203033261927(3411231234)3228(3126)3513451435h6101720H251116H21H3(H313233)b3020+
MFCD02952548
N((E)(5CHLORO2(2(3METHYLPHENOXY)ETHOXY)PHENYL)METHYLIDENEAMINO)26DIPYRROLIDIN1YLPYRIMIDIN4AMINE
STK041219
ZINC000008407789
ZINC34098797

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Available files

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