Vitas-M small molecule compound
N'-[(E)-(5-bromo-2-methoxyphenyl)methylidene]-2-{[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Catalog ID
STL337860
SMILES COc1ccc(cc1/C=N/NC(=O)CSc1nnc(n1C1CCCCC1)c1ccc(cc1)C)Br
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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 C25H28BrN5O2S MW 542.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28BrN5O2S/c1-17-8-10-18(11-9-17)24-29-30-25(31(24)21-6-4-3-5-7-21)34-16-23(32)28-27-15-19-14-20(26)12-13-22(19)33-2/h8-15,21H,3-7,16H2,1-2H3,(H,28,32)/b27-15+InChIKey
GKVSOKSINOEXBK-JFLMPSFJSA-NSynonyms
612826-12-7(E)N(5bromo2methoxybenzylidene)2((4cyclohexyl5(ptolyl)4H124triazol3yl)thio)acetohydrazide
612826127
CC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)NN=CC4=C(C=CC(=C4)Br)OC
InChI=1SC25H28BrN5O2Sc11781018(11917)24293025(31(24)216435721)341623(32)282715191420(26)121322(19)332h81521H3716H212H3(H2832)b2715+
MFCD03222428
N((1E)2(5BROMO2METHOXYPHENYL)1AZAVINYL)2(4CYCLOHEXYL5(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
N((E)(5bromo2methoxyphenyl)methylidene)2((4cyclohexyl5(4methylphenyl)4H124triazol3yl)sulfanyl)acetohydrazide
N((E)(5bromo2methoxyphenyl)methylideneamino)2((4cyclohexyl5(4methylphenyl)124triazol3yl)sulfanyl)acetamide
ZINC000100858941
ZINC101420549
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