Vitas-M small molecule compound

3-methyl-2-(3-methylbutyl)-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile

Catalog ID
STK109404
SMILES N#Cc1c(C)c(CCC(C)C)c(=O)n2c1[nH]c1c2cccc1

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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 C18H19N3O MW 293.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O/c1-11(2)8-9-13-12(3)14(10-19)17-20-15-6-4-5-7-16(15)21(17)18(13)22/h4-7,11,20H,8-9H2,1-3H3
InChIKey
AVGTWRLHTJIKNU-UHFFFAOYSA-N
Synonyms
611198-18-6
1HYDROXY3METHYL2(3METHYLBUTYL)BENZO(45)IMIDAZO(12A)PYRIDINE4CARBONITRILE
1HYDROXY3METHYL2(3METHYLBUTYL)PYRIDO(12A)BENZIMIDAZOLE4CARBONITRILE
2ISOAMYL1KETO3METHYL5HPYRIDO(12A)BENZIMIDAZOLE4CARBONITRILE
2ISOPENTYL3METHYL1OXO15DIHYDROBENZO(45)IMIDAZO(12A)PYRIDINE4CARBONITRILE
3METHYL2(3METHYLBUTYL)1OXIDANYLIDENE5HPYRIDO(12A)BENZIMIDAZOLE4CARBONITRILE
3METHYL2(3METHYLBUTYL)1OXO15DIHYDROPYRIDO(12A)BENZIMIDAZOLE4CARBONITRILE
3METHYL2(3METHYLBUTYL)1OXO5HPYRIDO(12A)BENZIMIDAZOLE4CARBONITRILE
611198186
CC1=C(C(=O)N2C3=CC=CC=C3NC2=C1C#N)CCC(C)C
InChI=1SC18H19N3Oc111(2)891312(3)14(1019)172015645716(15)21(17)18(13)22h471120H89H213H3
MFCD04126757
N#Cc1c(C)c(CCC(C)C)c(=O)n2c1(nH)c1c2cccc1
ZINC000100573478
ZINC100573478
ZINC1467938

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Available files

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