Vitas-M small molecule compound

2-[(4-chlorophenoxy)methyl]-1-[2-(decyloxy)-2-oxoethyl]-3-methyl-1H-3,1-benzimidazol-3-ium

Catalog ID
STL326818
SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccc(cc2)Cl)[n+](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 C27H36ClN2O3 MW 472.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36ClN2O3/c1-3-4-5-6-7-8-9-12-19-32-27(31)20-30-25-14-11-10-13-24(25)29(2)26(30)21-33-23-17-15-22(28)16-18-23/h10-11,13-18H,3-9,12,19-21H2,1-2H3/q+1
InChIKey
ABSUVJKECLPASA-UHFFFAOYSA-N
Synonyms

2((4chlorophenoxy)methyl)1(2(decyloxy)2oxoethyl)3methyl1H31benzimidazol3ium
2(2((4CHLOROPHENOXY)METHYL)3METHYL1BENZIMIDAZOL3IUMYL)ACETICACIDDECYLESTERCHLORIDE
2(2((4CHLOROPHENOXY)METHYL)3METHYLBENZIMIDAZOL3IUM1YL)ACETICACIDDECYLESTERCHLORIDE
CCCCCCCCCCOC(=O)Cn1c(COc2ccc(cc2)Cl)(n+)(c2c1cccc2)C
CCCCCCCCCCOC(=O)CN1C2=CC=CC=C2(N+)(=C1COC3=CC=C(C=C3)Cl)C
DECYL2(2((4CHLORANYLPHENOXY)METHYL)3METHYLBENZIMIDAZOL3IUM1YL)ETHANOATECHLORIDE
DECYL2(2((4CHLOROPHENOXY)METHYL)3METHYLBENZIMIDAZOL3IUM1YL)ACETATE
DECYL2(2((4CHLOROPHENOXY)METHYL)3METHYLBENZIMIDAZOL3IUM1YL)ACETATECHLORIDE
InChI=1SC27H36ClN2O3c1345678912193227(31)2030251411101324(25)29(2)26(30)213323171522(28)161823h10111318H39121921H212H3q+1
MFCD01090203
ZINC000038140876
ZINC38140876

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Available files

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