Vitas-M small molecule compound
1-(2-{[2-(3-methylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)butan-2-one
Catalog ID
STL300547
SMILES CCC(=O)Cn1c(SCCOc2cccc(c2)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 C20H22N2O2S MW 354.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O2S/c1-3-16(23)14-22-19-10-5-4-9-18(19)21-20(22)25-12-11-24-17-8-6-7-15(2)13-17/h4-10,13H,3,11-12,14H2,1-2H3InChIKey
AFUNEHKVJNWDFB-UHFFFAOYSA-NSynonyms
1(2((2(3methylphenoxy)ethyl)sulfanyl)1Hbenzimidazol1yl)butan2one
1(2(2(3methylphenoxy)ethylsulfanyl)benzimidazol1yl)butan2one
CCC(=O)CN1C2=CC=CC=C2N=C1SCCOC3=CC=CC(=C3)C
InChI=1SC20H22N2O2Sc1316(23)1422191054918(19)2120(22)251211241786715(2)1317h41013H3111214H212H3
MFCD28033356
ZINC000076555485
ZINC76555485
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