Vitas-M small molecule compound

1-[4-(2,4-dichlorobenzyl)piperazin-1-yl]-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile

Catalog ID
STL057623
SMILES CCCCCCCCc1c(C)c(C#N)c2n(c1N1CCN(CC1)Cc1ccc(cc1Cl)Cl)c1ccccc1n2

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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 C32H37Cl2N5 MW 562.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37Cl2N5/c1-3-4-5-6-7-8-11-26-23(2)27(21-35)31-36-29-12-9-10-13-30(29)39(31)32(26)38-18-16-37(17-19-38)22-24-14-15-25(33)20-28(24)34/h9-10,12-15,20H,3-8,11,16-19,22H2,1-2H3
InChIKey
TWKAILFHNXDDBT-UHFFFAOYSA-N
Synonyms
500149-24-6
1(4((24DICHLOROPHENYL)METHYL)PIPERAZIN1YL)3METHYL2OCTYLPYRIDO(12A)BENZIMIDAZOLE4CARBONITRILE
1(4(24DICHLOROBENZYL)PIPERAZIN1YL)3METHYL2OCTYLBENZO(45)IMIDAZO(12A)PYRIDINE4CARBONITRILE
1(4(24dichlorobenzyl)piperazin1yl)3methyl2octylpyrido(12a)benzimidazole4carbonitrile
4(4((24DICHLOROPHENYL)METHYL)PIPERAZINYL)2METHYL3OCTYL5HYDROPYRIDINO(12A)BENZIMIDAZOLECARBONITRILE
500149246
CCCCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)CC5=C(C=C(C=C5)Cl)Cl
InChI=1SC32H37Cl2N5c1345678112623(2)27(2135)313629129101330(29)39(31)32(26)38181637(171938)2224141525(33)2028(24)34h910121520H3811161922H212H3
MFCD03691929
ZINC000100692886
ZINC100692886

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Available files

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