Vitas-M small molecule compound
2-({5-bromo-4-[(Z)-(1-ethyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy}methyl)benzonitrile
Catalog ID
STL370159
SMILES CCN1C(=S)N/C(=C\c2cc(OC)c(cc2Br)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 C21H18BrN3O3S MW 472.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrN3O3S/c1-3-25-20(26)17(24-21(25)29)8-15-9-18(27-2)19(10-16(15)22)28-12-14-7-5-4-6-13(14)11-23/h4-10H,3,12H2,1-2H3,(H,24,29)/b17-8-InChIKey
VIFVKOKSBVGOES-IUXPMGMMSA-NSynonyms
2((5BROMO4((Z)(1ETHYL5OXO2SULFANYLIDENEIMIDAZOLIDIN4YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZONITRILE
2((5bromo4((Z)(1ethyl5oxo2thioxoimidazolidin4ylidene)methyl)2methoxyphenoxy)methyl)benzonitrile
CCN1C(=O)C(=CC2=CC(=C(C=C2Br)OCC3=CC=CC=C3C#N)OC)NC1=S
CCN1C(=S)NC(=Cc2cc(OC)c(cc2Br)OCc2ccccc2C#N)C1=O
InChI=1SC21H18BrN3O3Sc132520(26)17(2421(25)29)815918(272)19(1016(15)22)281214754613(14)1123h410H312H212H3(H2429)b178
MFCD05150048
ZINC000009296206
ZINC09296206
ZINC9296206
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