Vitas-M small molecule compound

1-methyl-3-(prop-2-en-1-yl)-1H-3,1-benzimidazol-3-ium

Catalog ID
STK379498
SMILES C=CC[n+]1cn(c2c1cccc2)C

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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 C11H13N2 MW 173.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H13N2/c1-3-8-13-9-12(2)10-6-4-5-7-11(10)13/h3-7,9H,1,8H2,2H3/q+1
InChIKey
ISHJUNDLXVFKCF-UHFFFAOYSA-N
Synonyms

1ALLYL3METHYL1HBENZIMIDAZOLE3IUM
1methyl3(prop2en1yl)1H31benzimidazol3ium
1METHYL3PROP2ENYLBENZIMIDAZOL1IUM
3METHYL1PROP2EN1YL1H31BENZIMIDAZOL3IUM
C(N+)1=CN(C2=CC=CC=C21)CC=C
C=CC(n+)1cn(c2c1cccc2)C
InChI=1SC11H13N2c13813912(2)10645711(10)13h379H18H22H3q+1
MFCD01825249
ZINC000004062843
ZINC04062843
ZINC4062843

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Available files

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