Vitas-M small molecule compound

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

Catalog ID
STK108305
SMILES CCn1c(SCC(=O)N/N=C/c2sccc2C)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 C22H27N5OS2 MW 441.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N5OS2/c1-6-27-20(16-7-9-17(10-8-16)22(3,4)5)25-26-21(27)30-14-19(28)24-23-13-18-15(2)11-12-29-18/h7-13H,6,14H2,1-5H3,(H,24,28)/b23-13+
InChIKey
FKDPQHYDNSRBPJ-YDZHTSKRSA-N
Synonyms
488092-91-7
(E)2((5(4(tertbutyl)phenyl)4ethyl4H124triazol3yl)thio)N((3methylthiophen2yl)methylene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)N((E)(3METHYLTHIOPHEN2YL)METHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)N((E)(3METHYLTHIOPHEN2YL)METHYLIDENE)ACETOHYDRAZIDE
488092917
CCN1C(=NN=C1SCC(=O)NN=CC2=C(C=CS2)C)C3=CC=C(C=C3)C(C)(C)C
CCn1c(SCC(=O)NN=Cc2sccc2C)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC22H27N5OS2c162720(167917(10816)22(34)5)252621(27)301419(28)2423131815(2)11122918h713H614H215H3(H2428)b2313+
MFCD03219177
N((1E)2(3METHYL(2THIENYL))1AZAVINYL)2(5(4(TERTBUTYL)PHENYL)4ETHYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000001240624
ZINC33329847

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Available files

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