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Vitas-M small molecule compound

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

Catalog ID
STL327095
SMILES CCCCCCCCCCOC(=O)Cn1c(COc2cccc(c2)OC)[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 C28H39N2O4 MW 467.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H39N2O4/c1-4-5-6-7-8-9-10-13-19-33-28(31)21-30-26-18-12-11-17-25(26)29(2)27(30)22-34-24-16-14-15-23(20-24)32-3/h11-12,14-18,20H,4-10,13,19,21-22H2,1-3H3/q+1
InChIKey
VZAABTACONNWBS-UHFFFAOYSA-N
Synonyms

1(2(decyloxy)2oxoethyl)2((3methoxyphenoxy)methyl)3methyl1H31benzimidazol3ium
1(2(decyloxy)2oxoethyl)2((3methoxyphenoxy)methyl)3methyl1Hbenzo(d)imidazol3iumchloride
2(2((3METHOXYPHENOXY)METHYL)3METHYL1BENZIMIDAZOL3IUMYL)ACETICACIDDECYLESTERCHLORIDE
2(2((3METHOXYPHENOXY)METHYL)3METHYLBENZIMIDAZOL3IUM1YL)ACETICACIDDECYLESTERCHLORIDE
CCCCCCCCCCOC(=O)Cn1c(COc2cccc(c2)OC)(n+)(c2c1cccc2)C
CCCCCCCCCCOC(=O)Cn1c(COc2cccc(c2)OC)(n+)(c2c1cccc2)C(Cl)
CCCCCCCCCCOC(=O)CN1C2=CC=CC=C2(N+)(=C1COC3=CC=CC(=C3)OC)C
DECYL2(2((3METHOXYPHENOXY)METHYL)3METHYLBENZIMIDAZOL3IUM1YL)ACETATE
DECYL2(2((3METHOXYPHENOXY)METHYL)3METHYLBENZIMIDAZOL3IUM1YL)ACETATECHLORIDE
DECYL2(2((3METHOXYPHENOXY)METHYL)3METHYLBENZIMIDAZOL3IUM1YL)ETHANOATECHLORIDE
InChI=1SC28H39N2O4c14567891013193328(31)2130261812111725(26)29(2)27(30)22342416141523(2024)323h1112141820H41013192122H213H3q+1
MFCD01088417
ZINC000038140895
ZINC38140895

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Available files

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