Vitas-M small molecule compound

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

Catalog ID
STL337289
SMILES O=C(CSc1nnc(n1C1CCCCC1)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 C25H29N5OS MW 447.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N5OS/c1-18-12-14-20(15-13-18)24-28-29-25(30(24)22-10-4-3-5-11-22)32-17-23(31)27-26-16-21-9-7-6-8-19(21)2/h6-9,12-16,22H,3-5,10-11,17H2,1-2H3,(H,27,31)/b26-16+
InChIKey
QWGGVKGTDLHJKV-WGOQTCKBSA-N
Synonyms
612826-54-7
(E)2((4cyclohexyl5(ptolyl)4H124triazol3yl)thio)N(2methylbenzylidene)acetohydrazide
2((4CYCLOHEXYL5(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((E)(2METHYLPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((4cyclohexyl5(4methylphenyl)4H124triazol3yl)sulfanyl)N((E)(2methylphenyl)methylidene)acetohydrazide
612826547
CC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)NN=CC4=CC=CC=C4C
InChI=1SC25H29N5OSc118121420(151318)24282925(30(24)22104351122)321723(31)27261621976819(21)2h69121622H35101117H212H3(H2731)b2616+
MFCD03222531
N((1E)2(2METHYLPHENYL)1AZAVINYL)2(4CYCLOHEXYL5(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
O=C(CSc1nnc(n1C1CCCCC1)c1ccc(cc1)C)NN=Cc1ccccc1C
ZINC000002211343
ZINC33350500

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Available files

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