Vitas-M small molecule compound

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

Catalog ID
STK101250
SMILES CCn1c(SCC(=O)N/N=C/c2ccccc2Cl)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(16-10-12-18(13-11-16)23(2,3)4)27-28-22(29)31-15-20(30)26-25-14-17-8-6-7-9-19(17)24/h6-14H,5,15H2,1-4H3,(H,26,30)/b25-14+
InChIKey
AXTVXJXPVSOBMV-AFUMVMLFSA-N
Synonyms
497246-44-3
(E)2((5(4(tertbutyl)phenyl)4ethyl4H124triazol3yl)thio)N(2chlorobenzylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)N((E)(2CHLOROPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)N((E)(2CHLOROPHENYL)METHYLIDENE)ACETOHYDRAZIDE
497246443
CCN1C(=NN=C1SCC(=O)NN=CC2=CC=CC=C2Cl)C3=CC=C(C=C3)C(C)(C)C
CCn1c(SCC(=O)NN=Cc2ccccc2Cl)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC23H26ClN5OSc152921(16101218(131116)23(23)4)272822(29)311520(30)26251417867919(17)24h614H515H214H3(H2630)b2514+
MFCD03219137
N((1E)2(2CHLOROPHENYL)1AZAVINYL)2(5(4(TERTBUTYL)PHENYL)4ETHYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000001835845
ZINC33345301

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Available files

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