Vitas-M small molecule compound
5-chloro-3-(2-hydroxyethyl)-2-methyl-1-phenyl-1H-3,1-benzimidazol-3-ium
Catalog ID
STK396335
SMILES OCC[n+]1c(C)n(c2c1cc(Cl)cc2)c1ccccc1
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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 C16H16ClN2O MW 287.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16ClN2O/c1-12-18(9-10-20)16-11-13(17)7-8-15(16)19(12)14-5-3-2-4-6-14/h2-8,11,20H,9-10H2,1H3/q+1InChIKey
XAHUDIBZMNXWIG-UHFFFAOYSA-NSynonyms
2(6CHLORO2METHYL3PHENYLBENZIMIDAZOL1IUM1YL)ETHANOL
5chloro3(2hydroxyethyl)2methyl1phenyl1H31benzimidazol3ium
6CHLORO1(2HYDROXYETHYL)2METHYL3PHENYL3HBENZOIMIDAZOL1IUM
CC1=(N+)(C2=C(N1C3=CC=CC=C3)C=CC(=C2)Cl)CCO
InChI=1SC16H16ClN2Oc11218(91020)161113(17)7815(16)19(12)145324614h281120H910H21H3q+1
MFCD00602370
OCC(n+)1c(C)n(c2c1cc(Cl)cc2)c1ccccc1
ZINC000003127921
ZINC03127921
ZINC3127921
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