Vitas-M small molecule compound
2-({4-[(Z)-(1-ethyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy}methyl)benzonitrile
Catalog ID
STL369344
SMILES CCN1C(=S)N/C(=C\c2ccc(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 C21H19N3O3S MW 393.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O3S/c1-3-24-20(25)17(23-21(24)28)10-14-8-9-18(19(11-14)26-2)27-13-16-7-5-4-6-15(16)12-22/h4-11H,3,13H2,1-2H3,(H,23,28)/b17-10-InChIKey
JHUCVFAKFCWHFV-YVLHZVERSA-NSynonyms
2((4((Z)(1ETHYL5OXO2SULFANYLIDENEIMIDAZOLIDIN4YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZONITRILE
2((4((Z)(1ethyl5oxo2thioxoimidazolidin4ylidene)methyl)2methoxyphenoxy)methyl)benzonitrile
CCN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=CC=C3C#N)OC)NC1=S
CCN1C(=S)NC(=Cc2ccc(c(c2)OC)OCc2ccccc2C#N)C1=O
InChI=1SC21H19N3O3Sc132420(25)17(2321(24)28)10148918(19(1114)262)271316754615(16)1222h411H313H212H3(H2328)b1710
MFCD03269545
ZINC000005867567
ZINC05867567
ZINC5867567
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