Vitas-M small molecule compound
2-({4-[(Z)-(1-cyclohexyl-3-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]-2-methoxyphenoxy}methyl)benzonitrile
Catalog ID
STL375269
SMILES COc1cc(ccc1OCc1ccccc1C#N)/C=C/1\N(C)C(=S)N(C1=O)C1CCCCC1
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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 C26H27N3O3S MW 461.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O3S/c1-28-22(25(30)29(26(28)33)21-10-4-3-5-11-21)14-18-12-13-23(24(15-18)31-2)32-17-20-9-7-6-8-19(20)16-27/h6-9,12-15,21H,3-5,10-11,17H2,1-2H3/b22-14-InChIKey
PXTIJKRKVKIDNO-HMAPJEAMSA-NSynonyms
2((4((1CYCLOHEXYL3METHYL5OXO2THIOXO4IMIDAZOLIDINYLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZONITRILE
2((4((Z)(1CYCLOHEXYL3METHYL5OXO2SULFANYLIDENEIMIDAZOLIDIN4YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZONITRILE
2((4((Z)(1cyclohexyl3methyl5oxo2thioxoimidazolidin4ylidene)methyl)2methoxyphenoxy)methyl)benzonitrile
CN1C(=CC2=CC(=C(C=C2)OCC3=CC=CC=C3C#N)OC)C(=O)N(C1=S)C4CCCCC4
COc1cc(ccc1OCc1ccccc1C#N)C=C1N(C)C(=S)N(C1=O)C1CCCCC1
InChI=1SC26H27N3O3Sc12822(25(30)29(26(28)33)21104351121)1418121323(24(1518)312)321720976819(20)1627h69121521H35101117H212H3b2214
MFCD03861941
ZINC000008396576
ZINC08396576
ZINC8396576
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