Vitas-M small molecule compound

2-[(2-methylphenoxy)methyl]-1-(prop-2-yn-1-yl)-1H-benzimidazole

Catalog ID
STK739492
SMILES C#CCn1c(COc2ccccc2C)nc2c1cccc2

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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 C18H16N2O MW 276.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O/c1-3-12-20-16-10-6-5-9-15(16)19-18(20)13-21-17-11-7-4-8-14(17)2/h1,4-11H,12-13H2,2H3
InChIKey
ITKJTHYRBSMQJO-UHFFFAOYSA-N
Synonyms
876883-12-4
1(PROP2YN1YL)2((OTOLYLOXY)METHYL)1HBENZO(D)IMIDAZOLE
1H13BENZIMIDAZOLE2((2METHYLPHENOXY)METHYL)1(2PROPYNYL)
1PROP2YNYL2OTOLYLOXYMETHYL1HBENZOIMIDAZOLE
2((2methylphenoxy)methyl)1(prop2yn1yl)1Hbenzimidazole
2((2METHYLPHENOXY)METHYL)1PROP2YNYLBENZIMIDAZOLE
876883124
CC1=CC=CC=C1OCC2=NC3=CC=CC=C3N2CC#C
InChI=1SC18H16N2Oc131220161065915(16)1918(20)1321171174814(17)2h1411H1213H22H3
MFCD07394031
ZINC000004908458
ZINC04908458
ZINC4908458

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Available files

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