Vitas-M small molecule compound
2-[(4-{(Z)-[1-(4-bromobenzyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}-2-chloro-6-ethoxyphenoxy)methyl]benzonitrile
Catalog ID
STK165292
SMILES CCOc1cc(/C=C/2\NC(=O)N(C2=O)Cc2ccc(cc2)Br)cc(c1OCc1ccccc1C#N)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 C27H21BrClN3O4 MW 566.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21BrClN3O4/c1-2-35-24-13-18(11-22(29)25(24)36-16-20-6-4-3-5-19(20)14-30)12-23-26(33)32(27(34)31-23)15-17-7-9-21(28)10-8-17/h3-13H,2,15-16H2,1H3,(H,31,34)/b23-12-InChIKey
XLTSNRURHUALSJ-FMCGGJTJSA-NSynonyms
2((4((Z)(1((4BROMOPHENYL)METHYL)25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)2CHLORO6ETHOXYPHENOXY)METHYL)BENZONITRILE
2((4((Z)(1(4BROMOBENZYL)25DIOXOIMIDAZOLIDIN4YLIDENE)METHYL)2CHLORO6ETHOXYPHENOXY)METHYL)BENZONITRILE
CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)N2)CC3=CC=C(C=C3)Br)Cl)OCC4=CC=CC=C4C#N
CCOc1cc(C=C2NC(=O)N(C2=O)Cc2ccc(cc2)Br)cc(c1OCc1ccccc1C#N)Cl
InChI=1SC27H21BrClN3O4c1235241318(1122(29)25(24)361620643519(20)1430)122326(33)32(27(34)3123)15177921(28)10817h313H21516H21H3(H3134)b2312
MFCD03729559
ZINC000097960422
ZINC97960422
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