Vitas-M small molecule compound

(2-{[2-(3,4-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid

Catalog ID
STK364976
SMILES OC(=O)Cn1c(SCCOc2ccc(c(c2)C)C)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 C19H20N2O3S MW 356.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2O3S/c1-13-7-8-15(11-14(13)2)24-9-10-25-19-20-16-5-3-4-6-17(16)21(19)12-18(22)23/h3-8,11H,9-10,12H2,1-2H3,(H,22,23)
InChIKey
IVYPRUOVYMOVMU-UHFFFAOYSA-N
Synonyms

(2((2(34DIMETHYLPHENOXY)ETHYL)SULFANYL)1HBENZIMIDAZOL1YL)ACETICACID
(2((2(34DIMETHYLPHENOXY)ETHYL)THIO)1HBENZIMIDAZOL1YL)ACETICACID
(2(2(34DIMETHYLPHENOXY)ETHYLSULFANYL)BENZOIMIDAZOL1YL)ACETICACID
2(2((2(34DIMETHYLPHENOXY)ETHYL)SULFANYL)1H13BENZODIAZOL1YL)ACETICACID
2(2(2(34DIMETHYLPHENOXY)ETHYLSULFANYL)BENZIMIDAZOL1YL)ACETICACID
2(2(2(34DIMETHYLPHENOXY)ETHYLTHIO)BENZIMIDAZOLYL)ACETICACID
CC1=C(C=C(C=C1)OCCSC2=NC3=CC=CC=C3N2CC(=O)O)C
InChI=1SC19H20N2O3Sc1137815(1114(13)2)2491025192016534617(16)21(19)1218(22)23h3811H91012H212H3(H2223)
MFCD00809689
ZINC000002051955
ZINC2051955

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Available files

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