Vitas-M small molecule compound

2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-chlorophenyl)methylidene]acetohydrazide

Catalog ID
STK108256
SMILES CCn1c(SCC(=O)N/N=C/c2cccc(c2)Cl)nnc1c1ccc(cc1)C(C)(C)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 C23H26ClN5OS MW 456.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26ClN5OS/c1-5-29-21(17-9-11-18(12-10-17)23(2,3)4)27-28-22(29)31-15-20(30)26-25-14-16-7-6-8-19(24)13-16/h6-14H,5,15H2,1-4H3,(H,26,30)/b25-14+
InChIKey
DPTFKXUHAKWJLI-AFUMVMLFSA-N
Synonyms
488129-32-4
(E)2((5(4(tertbutyl)phenyl)4ethyl4H124triazol3yl)thio)N(3chlorobenzylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)N((E)(3CHLOROPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)N((E)(3CHLOROPHENYL)METHYLIDENE)ACETOHYDRAZIDE
488129324
CCN1C(=NN=C1SCC(=O)NN=CC2=CC(=CC=C2)Cl)C3=CC=C(C=C3)C(C)(C)C
CCn1c(SCC(=O)NN=Cc2cccc(c2)Cl)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC23H26ClN5OSc152921(1791118(121017)23(23)4)272822(29)311520(30)2625141676819(24)1316h614H515H214H3(H2630)b2514+
MFCD03219170
N((1E)2(3CHLOROPHENYL)1AZAVINYL)2(5(4(TERTBUTYL)PHENYL)4ETHYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000002331068
ZINC33361240

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Available files

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