Vitas-M small molecule compound

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

Catalog ID
STK105077
SMILES C=CCc1c(C)c(C#N)c2n(c1N1CCN(CC1)C(c1ccccc1)c1ccccc1)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 C33H31N5 MW 497.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31N5/c1-3-12-27-24(2)28(23-34)32-35-29-17-10-11-18-30(29)38(32)33(27)37-21-19-36(20-22-37)31(25-13-6-4-7-14-25)26-15-8-5-9-16-26/h3-11,13-18,31H,1,12,19-22H2,2H3
InChIKey
JECGZXXUTVXCMG-UHFFFAOYSA-N
Synonyms
612037-39-5
1(4(DIPHENYLMETHYL)PIPERAZIN1YL)3METHYL2(PROP2EN1YL)PYRIDO(12A)BENZIMIDAZOLE4CARBONITRILE
1(4BENZHYDRYLPIPERAZIN1YL)3METHYL2PROP2ENYLPYRIDO(12A)BENZIMIDAZOLE4CARBONITRILE
2ALLYL1(4BENZHYDRYLPIPERAZIN1YL)3METHYLBENZO(45)IMIDAZO(12A)PYRIDINE4CARBONITRILE
4(4(DIPHENYLMETHYL)PIPERAZINYL)2METHYL3PROP2ENYL5HYDROPYRIDINO(12A)BENZIMIDAZOLECARBONITRILE
612037395
CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC=C)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)C#N
InChI=1SC33H31N5c13122724(2)28(2334)3235291710111830(29)38(32)33(27)37211936(202237)31(25136471425)26158591626h311131831H1121922H22H3
MFCD03663880
ZINC000019807856
ZINC19807856

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Available files

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