Vitas-M small molecule compound

2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-methylphenyl)methylidene]acetohydrazide

Catalog ID
STK026558
SMILES O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C)N/N=C/c1ccccc1C

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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 C26H25N5OS MW 455.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5OS/c1-18-8-12-21(13-9-18)25-29-30-26(31(25)23-14-10-19(2)11-15-23)33-17-24(32)28-27-16-22-7-5-4-6-20(22)3/h4-16H,17H2,1-3H3,(H,28,32)/b27-16+
InChIKey
VRWQCTIZHYQYGW-JVWAILMASA-N
Synonyms
487036-91-9
(E)2((45diptolyl4H124triazol3yl)thio)N(2methylbenzylidene)acetohydrazide
2((45BIS(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((E)(2METHYLPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((45BIS(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((E)(2METHYLPHENYL)METHYLIDENE)ACETOHYDRAZIDE
487036919
CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC(=O)NN=CC4=CC=CC=C4C
InChI=1SC26H25N5OSc11881221(13918)25293026(31(25)23141019(2)111523)331724(32)28271622754620(22)3h416H17H213H3(H2832)b2716+
MFCD03091296
N((1E)2(2METHYLPHENYL)1AZAVINYL)2(45BIS(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C)NN=Cc1ccccc1C
STK026558
ZINC000002322554
ZINC33360575

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.