Vitas-M small molecule compound
2-({4-[(E)-(1-ethyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]-2-iodo-6-methoxyphenoxy}methyl)benzonitrile
Catalog ID
STL416081
SMILES CCN1C(=S)N/C(=C/c2cc(I)c(c(c2)OC)OCc2ccccc2C#N)/C1=O
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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 C21H18IN3O3S MW 519.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18IN3O3S/c1-3-25-20(26)17(24-21(25)29)9-13-8-16(22)19(18(10-13)27-2)28-12-15-7-5-4-6-14(15)11-23/h4-10H,3,12H2,1-2H3,(H,24,29)/b17-9+InChIKey
SVZJPMCLONJOOI-RQZCQDPDSA-NSynonyms
2((4((E)(1ethyl5oxo2sulfanylideneimidazolidin4ylidene)methyl)2iodo6methoxyphenoxy)methyl)benzonitrile
2((4((E)(1ethyl5oxo2thioxoimidazolidin4ylidene)methyl)2iodo6methoxyphenoxy)methyl)benzonitrile
CCN1C(=O)C(=CC2=CC(=C(C(=C2)I)OCC3=CC=CC=C3C#N)OC)NC1=S
CCN1C(=S)NC(=Cc2cc(I)c(c(c2)OC)OCc2ccccc2C#N)C1=O
InChI=1SC21H18IN3O3Sc132520(26)17(2421(25)29)913816(22)19(18(1013)272)281215754614(15)1123h410H312H212H3(H2429)b179+
MFCD30706942
ZINC000220958241
ZINC220958241
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