Vitas-M small molecule compound
2-{[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]acetohydrazide
Catalog ID
STK059866
SMILES O=C(CSc1nnc(n1C1CCCCC1)c1ccc(cc1)Cl)N/N=C/C(=C/c1ccccc1)/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 C26H28ClN5OS MW 494.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28ClN5OS/c1-19(16-20-8-4-2-5-9-20)17-28-29-24(33)18-34-26-31-30-25(21-12-14-22(27)15-13-21)32(26)23-10-6-3-7-11-23/h2,4-5,8-9,12-17,23H,3,6-7,10-11,18H2,1H3,(H,29,33)/b19-16+,28-17+InChIKey
BCSQOXUTEUVQJW-SILQRRHJSA-NSynonyms
488840-91-1(E)2((5(4chlorophenyl)4cyclohexyl4H124triazol3yl)thio)N((E)2methyl3phenylallylidene)acetohydrazide
2((5(4chlorophenyl)4cyclohexyl124triazol3yl)sulfanyl)N((E)((E)2methyl3phenylprop2enylidene)amino)acetamide
2((5(4CHLOROPHENYL)4CYCLOHEXYL4H124TRIAZOL3YL)SULFANYL)N((1E2E)2METHYL3PHENYLPROP2EN1YLIDENE)ACETOHYDRAZIDE
488840911
CC(=CC1=CC=CC=C1)C=NNC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=C(C=C4)Cl
InChI=1SC26H28ClN5OSc119(16208425920)17282924(33)183426313025(21121422(27)151321)32(26)23106371123h24589121723H367101118H21H3(H2933)b1916+2817+
MFCD03221029
N((1E3E)3METHYL4PHENYL1AZABUTA13DIENYL)2(5(4CHLOROPHENYL)4CYCLOHEXYL(124TRIAZOL3YLTHIO))ACETAMIDE
STK059866
ZINC000008817825
ZINC96472570
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.