Vitas-M small molecule compound
2-[(2-chloro-4-{(Z)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene]methyl}phenoxy)methyl]benzonitrile
Catalog ID
STL369531
SMILES N#Cc1ccccc1COc1ccc(cc1Cl)/C=C/1\N(C)C(=S)N(C1=O)c1ccc(c(c1)C)C
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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 C27H22ClN3O2S MW 488.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClN3O2S/c1-17-8-10-22(12-18(17)2)31-26(32)24(30(3)27(31)34)14-19-9-11-25(23(28)13-19)33-16-21-7-5-4-6-20(21)15-29/h4-14H,16H2,1-3H3/b24-14-InChIKey
LQESBVRQXRKKHY-OYKKKHCWSA-NSynonyms
2((2CHLORO4((1(34DIMETHYLPHENYL)3METHYL5OXO2THIOXO4IMIDAZOLIDINYLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
2((2CHLORO4((Z)(1(34DIMETHYLPHENYL)3METHYL5OXO2SULFANYLIDENEIMIDAZOLIDIN4YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
2((2chloro4((Z)(1(34dimethylphenyl)3methyl5oxo2thioxoimidazolidin4ylidene)methyl)phenoxy)methyl)benzonitrile
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=CC=C4C#N)Cl)N(C2=S)C)C
InChI=1SC27H22ClN3O2Sc11781022(1218(17)2)3126(32)24(30(3)27(31)34)141991125(23(28)1319)331621754620(21)1529h414H16H213H3b2414
MFCD03699444
N#Cc1ccccc1COc1ccc(cc1Cl)C=C1N(C)C(=S)N(C1=O)c1ccc(c(c1)C)C
ZINC000002178548
ZINC02178548
ZINC2178548
Check stock
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Check stock on Vitas-MAvailable files
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