Vitas-M small molecule compound

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

Catalog ID
STL337969
SMILES COc1ccccc1/C=N/NC(=O)CSc1nnc(n1C1CCCCC1)c1ccc(cc1)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 C25H29N5O2S MW 463.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N5O2S/c1-18-12-14-19(15-13-18)24-28-29-25(30(24)21-9-4-3-5-10-21)33-17-23(31)27-26-16-20-8-6-7-11-22(20)32-2/h6-8,11-16,21H,3-5,9-10,17H2,1-2H3,(H,27,31)/b26-16+
InChIKey
JPKXZZXVWOPLJB-WGOQTCKBSA-N
Synonyms
4852-27-1
(E)2((4cyclohexyl5(ptolyl)4H124triazol3yl)thio)N(2methoxybenzylidene)acetohydrazide
2((4cyclohexyl5(4methylphenyl)124triazol3yl)sulfanyl)N((E)(2methoxyphenyl)methylideneamino)acetamide
2((4cyclohexyl5(4methylphenyl)4H124triazol3yl)sulfanyl)N((E)(2methoxyphenyl)methylidene)acetohydrazide
4852271
CC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)NN=CC4=CC=CC=C4OC
COc1ccccc1C=NNC(=O)CSc1nnc(n1C1CCCCC1)c1ccc(cc1)C
InChI=1SC25H29N5O2Sc118121419(151318)24282925(30(24)2194351021)331723(31)272616208671122(20)322h68111621H3591017H212H3(H2731)b2616+
MFCD03222474
N((1E)2(2METHOXYPHENYL)1AZAVINYL)2(4CYCLOHEXYL5(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000009428611
ZINC33803789

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Available files

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