Vitas-M small molecule compound

N-(4-butylphenyl)-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)quinoxaline-2,3-diamine

Catalog ID
STK991534
SMILES CCCCc1ccc(cc1)Nc1nc2ccccc2nc1Nc1cc(nn1c1ccccc1)C

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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 C28H28N6 MW 448.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N6/c1-3-4-10-21-15-17-22(18-16-21)29-27-28(31-25-14-9-8-13-24(25)30-27)32-26-19-20(2)33-34(26)23-11-6-5-7-12-23/h5-9,11-19H,3-4,10H2,1-2H3,(H,29,30)(H,31,32)
InChIKey
ASAZKRXVRXIQNF-UHFFFAOYSA-N
Synonyms

2N(4butylphenyl)3N(5methyl2phenylpyrazol3yl)quinoxaline23diamine
CCCCC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2NC4=CC(=NN4C5=CC=CC=C5)C
InChI=1SC28H28N6c1341021151722(181621)292728(312514981324(25)3027)32261920(2)3334(26)23116571223h591119H3410H212H3(H2930)(H3132)
MFCD02983345
N(4butylphenyl)N(3methyl1phenyl1Hpyrazol5yl)quinoxaline23diamine
ZINC000011692205
ZINC11692205

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Available files

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