Vitas-M small molecule compound

ethyl (4-{(E)-[1-(4-chlorobenzyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}-2-methoxyphenoxy)acetate

Catalog ID
STK060139
SMILES CCOC(=O)COc1ccc(cc1OC)/C=C\1/NC(=O)N(C1=O)Cc1ccc(cc1)Cl

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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 C22H21ClN2O6 MW 444.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN2O6/c1-3-30-20(26)13-31-18-9-6-15(11-19(18)29-2)10-17-21(27)25(22(28)24-17)12-14-4-7-16(23)8-5-14/h4-11H,3,12-13H2,1-2H3,(H,24,28)/b17-10+
InChIKey
TYSAZZXSMARBMJ-LICLKQGHSA-N
Synonyms
442152-48-9
442152489
CCOC(=O)COC1=C(C=C(C=C1)C=C2C(=O)N(C(=O)N2)CC3=CC=C(C=C3)Cl)OC
CCOC(=O)COc1ccc(cc1OC)C=C1NC(=O)N(C1=O)Cc1ccc(cc1)Cl
ETHYL(4((E)(1(4CHLOROBENZYL)25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)2METHOXYPHENOXY)ACETATE
ETHYL2(4((E)(1((4CHLOROPHENYL)METHYL)25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)2METHOXYPHENOXY)ACETATE
InChI=1SC22H21ClN2O6c133020(26)1331189615(1119(18)292)101721(27)25(22(28)2417)12144716(23)8514h411H31213H212H3(H2428)b1710+
MFCD03181907
STK060139
ZINC000001408277
ZINC01408277
ZINC1408277

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.