Vitas-M small molecule compound

5-(4-tert-butylphenyl)-4-{[(E)-(4-ethylphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STK559133
SMILES CCc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccc(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 C21H24N4S MW 364.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4S/c1-5-15-6-8-16(9-7-15)14-22-25-19(23-24-20(25)26)17-10-12-18(13-11-17)21(2,3)4/h6-14H,5H2,1-4H3,(H,24,26)/b22-14+
InChIKey
VUNSXAZHCZDXPE-HYARGMPZSA-N
Synonyms
497083-66-6
3(4TERTBUTYLPHENYL)4((E)(4ETHYLPHENYL)METHYLIDENEAMINO)1H124TRIAZOLE5THIONE
497083666
5(4tertbutylphenyl)4(((E)(4ethylphenyl)methylidene)amino)24dihydro3H124triazole3thione
CCc1ccc(cc1)C=Nn1c(=S)(nH)nc1c1ccc(cc1)C(C)(C)C
InChI=1SC21H24N4Sc15156816(9715)14222519(232420(25)26)17101218(131117)21(23)4h614H5H214H3(H2426)b2214+
MFCD03813363
ZINC000002349010
ZINC02349009
ZINC2349009

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Available files

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