Vitas-M small molecule compound
2-({4-[(Z)-(1-ethyl-3-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]-2-iodo-6-methoxyphenoxy}methyl)benzonitrile
Catalog ID
STL376538
SMILES CCN1C(=S)N(/C(=C\c2cc(I)c(c(c2)OC)OCc2ccccc2C#N)/C1=O)C
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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 C22H20IN3O3S MW 533.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20IN3O3S/c1-4-26-21(27)18(25(2)22(26)30)10-14-9-17(23)20(19(11-14)28-3)29-13-16-8-6-5-7-15(16)12-24/h5-11H,4,13H2,1-3H3/b18-10-InChIKey
HMFNPPSQBUUHRC-ZDLGFXPLSA-NSynonyms
2((4((Z)(1ETHYL3METHYL5OXO2SULFANYLIDENEIMIDAZOLIDIN4YLIDENE)METHYL)2IODO6METHOXYPHENOXY)METHYL)BENZONITRILE
2((4((Z)(1ethyl3methyl5oxo2thioxoimidazolidin4ylidene)methyl)2iodo6methoxyphenoxy)methyl)benzonitrile
CCN1C(=O)C(=CC2=CC(=C(C(=C2)I)OCC3=CC=CC=C3C#N)OC)N(C1=S)C
CCN1C(=S)N(C(=Cc2cc(I)c(c(c2)OC)OCc2ccccc2C#N)C1=O)C
InChI=1SC22H20IN3O3Sc142621(27)18(25(2)22(26)30)1014917(23)20(19(1114)283)291316865715(16)1224h511H413H213H3b1810
MFCD06669663
ZINC000100301283
ZINC100301283
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