Vitas-M small molecule compound
2-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STL431310
SMILES COc1cc(ccc1OC)/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 C18H18N2O2S MW 326.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O2S/c1-21-15-8-7-12(9-16(15)22-2)11-20-18-14(10-19)13-5-3-4-6-17(13)23-18/h7-9,11H,3-6H2,1-2H3/b20-11+InChIKey
OACDUYUZQSUDJS-RGVLZGJSSA-NSynonyms
2(((E)(34dimethoxyphenyl)methylidene)amino)4567tetrahydro1benzothiophene3carbonitrile
2((E)(34dimethoxyphenyl)methylideneamino)4567tetrahydro1benzothiophene3carbonitrile
COC1=C(C=C(C=C1)C=NC2=C(C3=C(S2)CCCC3)C#N)OC
COc1cc(ccc1OC)C=Nc1sc2c(c1C#N)CCCC2
InChI=1SC18H18N2O2Sc121158712(916(15)222)11201814(1019)13534617(13)2318h7911H36H212H3b2011+
MFCD00398978
ZINC000000275890
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