Vitas-M small molecule compound
2-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STL416405
SMILES CCOc1ccc(cc1OC)/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 C19H20N2O2S MW 340.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2O2S/c1-3-23-16-9-8-13(10-17(16)22-2)12-21-19-15(11-20)14-6-4-5-7-18(14)24-19/h8-10,12H,3-7H2,1-2H3/b21-12+InChIKey
OASMXUOMVXWRQO-CIAFOILYSA-NSynonyms
2(((E)(4ethoxy3methoxyphenyl)methylidene)amino)4567tetrahydro1benzothiophene3carbonitrile
2((E)(4ethoxy3methoxyphenyl)methylideneamino)4567tetrahydro1benzothiophene3carbonitrile
CCOC1=C(C=C(C=C1)C=NC2=C(C3=C(S2)CCCC3)C#N)OC
CCOc1ccc(cc1OC)C=Nc1sc2c(c1C#N)CCCC2
InChI=1SC19H20N2O2Sc1323169813(1017(16)222)12211915(1120)14645718(14)2419h81012H37H212H3b2112+
MFCD01014334
ZINC000018191066
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