Vitas-M small molecule compound

1-(4-benzylpiperazin-1-yl)-3-methyl-2-(prop-2-en-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile

Catalog ID
STK953436
SMILES C=CCc1c(C)c(C#N)c2n(c1N1CCN(CC1)Cc1ccccc1)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 C27H27N5 MW 421.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5/c1-3-9-22-20(2)23(18-28)26-29-24-12-7-8-13-25(24)32(26)27(22)31-16-14-30(15-17-31)19-21-10-5-4-6-11-21/h3-8,10-13H,1,9,14-17,19H2,2H3
InChIKey
UMCVSKRDBBDETQ-UHFFFAOYSA-N
Synonyms
846028-47-5
1(4benzylpiperazin1yl)3methyl2(prop2en1yl)pyrido(12a)benzimidazole4carbonitrile
1(4BENZYLPIPERAZIN1YL)3METHYL2PROP2ENYLPYRIDO(12A)BENZIMIDAZOLE4CARBONITRILE
2allyl1(4benzylpiperazin1yl)3methylbenzo(45)imidazo(12a)pyridine4carbonitrile
2METHYL4(4BENZYLPIPERAZINYL)3PROP2ENYL5HYDROPYRIDINO(12A)BENZIMIDAZOLECARBONITRILE
846028475
CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC=C)N4CCN(CC4)CC5=CC=CC=C5)C#N
InChI=1SC27H27N5c1392220(2)23(1828)26292412781325(24)32(26)27(22)31161430(151731)1921105461121h381013H19141719H22H3
MFCD04172310
ZINC000020392095
ZINC20392095

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Available files

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