Vitas-M small molecule compound
2-({4-bromo-2-[(Z)-(1-ethyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]phenoxy}methyl)benzonitrile
Catalog ID
STL369339
SMILES CCN1C(=S)N/C(=C\c2cc(Br)ccc2OCc2ccccc2C#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 C20H16BrN3O2S MW 442.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrN3O2S/c1-2-24-19(25)17(23-20(24)27)10-15-9-16(21)7-8-18(15)26-12-14-6-4-3-5-13(14)11-22/h3-10H,2,12H2,1H3,(H,23,27)/b17-10-InChIKey
NUYAAKIUWFTDLE-YVLHZVERSA-NSynonyms
2((4BROMO2((Z)(1ETHYL5OXO2SULFANYLIDENEIMIDAZOLIDIN4YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
2((4bromo2((Z)(1ethyl5oxo2thioxoimidazolidin4ylidene)methyl)phenoxy)methyl)benzonitrile
CCN1C(=O)C(=CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3C#N)NC1=S
CCN1C(=S)NC(=Cc2cc(Br)ccc2OCc2ccccc2C#N)C1=O
InChI=1SC20H16BrN3O2Sc122419(25)17(2320(24)27)1015916(21)7818(15)261214643513(14)1122h310H212H21H3(H2327)b1710
MFCD03696661
ZINC000009295933
ZINC09295933
ZINC9295933
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