Vitas-M small molecule compound
2-({(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STL372094
SMILES COc1ccc(cc1Cl)c1ccc(o1)/C=N/c1sc2c(c1C#N)CCCC2
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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 C21H17ClN2O2S MW 396.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN2O2S/c1-25-19-8-6-13(10-17(19)22)18-9-7-14(26-18)12-24-21-16(11-23)15-4-2-3-5-20(15)27-21/h6-10,12H,2-5H2,1H3/b24-12+InChIKey
CJOGREJAIRCXND-WYMPLXKRSA-NSynonyms
2(((E)(5(3chloro4methoxyphenyl)furan2yl)methylidene)amino)4567tetrahydro1benzothiophene3carbonitrile
2((E)(5(3chloro4methoxyphenyl)furan2yl)methylideneamino)4567tetrahydro1benzothiophene3carbonitrile
COC1=C(C=C(C=C1)C2=CC=C(O2)C=NC3=C(C4=C(S3)CCCC4)C#N)Cl
COc1ccc(cc1Cl)c1ccc(o1)C=Nc1sc2c(c1C#N)CCCC2
InChI=1SC21H17ClN2O2Sc125198613(1017(19)22)189714(2618)12242116(1123)15423520(15)2721h61012H25H21H3b2412+
MFCD00621242
ZINC000003011781
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