Vitas-M small molecule compound
ethyl (4-{(E)-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]methyl}-2-methoxyphenoxy)acetate
Catalog ID
STK758196
SMILES CCOC(=O)COc1ccc(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 C21H22N2O4S MW 398.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4S/c1-3-26-20(24)13-27-17-9-8-14(10-18(17)25-2)12-23-21-16(11-22)15-6-4-5-7-19(15)28-21/h8-10,12H,3-7,13H2,1-2H3/b23-12+InChIKey
PITIDJZLCLSERK-FSJBWODESA-NSynonyms
CCOC(=O)COC1=C(C=C(C=C1)C=NC2=C(C3=C(S2)CCCC3)C#N)OC
CCOC(=O)COc1ccc(cc1OC)C=Nc1sc2c(c1C#N)CCCC2
ethyl(4((E)((3cyano4567tetrahydro1benzothiophen2yl)imino)methyl)2methoxyphenoxy)acetate
ethyl2(4((E)(3cyano4567tetrahydro1benzothiophen2yl)iminomethyl)2methoxyphenoxy)acetate
InChI=1SC21H22N2O4Sc132620(24)1327179814(1018(17)252)12232116(1122)15645719(15)2821h81012H3713H212H3b2312+
MFCD00809546
ZINC000000727028
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