Vitas-M small molecule compound
methyl {5-bromo-4-[(Z)-(1-ethyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy}acetate
Catalog ID
STL371618
SMILES CCN1C(=S)N/C(=C\c2cc(OC)c(cc2Br)OCC(=O)OC)/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 C16H17BrN2O5S MW 429.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17BrN2O5S/c1-4-19-15(21)11(18-16(19)25)5-9-6-12(22-2)13(7-10(9)17)24-8-14(20)23-3/h5-7H,4,8H2,1-3H3,(H,18,25)/b11-5-InChIKey
KDUSTPXYLPPRHS-WZUFQYTHSA-NSynonyms
CCN1C(=O)C(=CC2=CC(=C(C=C2Br)OCC(=O)OC)OC)NC1=S
CCN1C(=S)NC(=Cc2cc(OC)c(cc2Br)OCC(=O)OC)C1=O
InChI=1SC16H17BrN2O5Sc141915(21)11(1816(19)25)59612(222)13(710(9)17)24814(20)233h57H48H213H3(H1825)b115
methyl(5bromo4((Z)(1ethyl5oxo2thioxoimidazolidin4ylidene)methyl)2methoxyphenoxy)acetate
METHYL2(5BROMO4((Z)(1ETHYL5OXO2SULFANYLIDENEIMIDAZOLIDIN4YLIDENE)METHYL)2METHOXYPHENOXY)ACETATE
MFCD03711351
ZINC000001161650
ZINC01161650
ZINC1161650
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