Vitas-M small molecule compound
(2E)-2-[2-(benzyloxy)-3,5-dichlorobenzylidene]-1-benzothiophen-3(2H)-one
Catalog ID
STK758302
SMILES Clc1cc(/C=C\2/Sc3c(C2=O)cccc3)c(c(c1)Cl)OCc1ccccc1
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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 C22H14Cl2O2S MW 413.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14Cl2O2S/c23-16-10-15(11-20-21(25)17-8-4-5-9-19(17)27-20)22(18(24)12-16)26-13-14-6-2-1-3-7-14/h1-12H,13H2/b20-11+InChIKey
HFRNJQCRNACHEF-RGVLZGJSSA-NSynonyms
(2E)2((35DICHLORO2PHENYLMETHOXYPHENYL)METHYLIDENE)1BENZOTHIOPHEN3ONE
(2E)2(2(benzyloxy)35dichlorobenzylidene)1benzothiophen3(2H)one
2(2(BENZYLOXY)35DICHLOROBENZYLIDENE)1BENZOTHIOPHEN3(2H)ONE
C1=CC=C(C=C1)COC2=C(C=C(C=C2C=C3C(=O)C4=CC=CC=C4S3)Cl)Cl
Clc1cc(C=C2Sc3c(C2=O)cccc3)c(c(c1)Cl)OCc1ccccc1
InChI=1SC22H14Cl2O2Sc23161015(112021(25)17845919(17)2720)22(18(24)1216)2613146213714h112H13H2b2011+
MFCD01160943
ZINC000004189360
ZINC04189360
ZINC4189360
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