Vitas-M small molecule compound
1-(2-{[2-(4-chloro-3-methylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)butan-2-one
Catalog ID
STL300516
SMILES CCC(=O)Cn1c(SCCOc2ccc(c(c2)C)Cl)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 C20H21ClN2O2S MW 388.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN2O2S/c1-3-15(24)13-23-19-7-5-4-6-18(19)22-20(23)26-11-10-25-16-8-9-17(21)14(2)12-16/h4-9,12H,3,10-11,13H2,1-2H3InChIKey
WPQIGRZCGSTLOB-UHFFFAOYSA-NSynonyms
1(2((2(4chloro3methylphenoxy)ethyl)sulfanyl)1Hbenzimidazol1yl)butan2one
1(2(2(4chloro3methylphenoxy)ethylsulfanyl)benzimidazol1yl)butan2one
CCC(=O)CN1C2=CC=CC=C2N=C1SCCOC3=CC(=C(C=C3)Cl)C
InChI=1SC20H21ClN2O2Sc1315(24)132319754618(19)2220(23)26111025168917(21)14(2)1216h4912H3101113H212H3
MFCD28033343
ZINC000082086481
ZINC82086481
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