Vitas-M small molecule compound

(4-tert-butylphenyl){3-[(2-methoxyphenyl)amino]-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}methanone

Catalog ID
STK850723
SMILES COc1ccccc1Nc1n[nH]c(=S)n1C(=O)c1ccc(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 C20H22N4O2S MW 382.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O2S/c1-20(2,3)14-11-9-13(10-12-14)17(25)24-18(22-23-19(24)27)21-15-7-5-6-8-16(15)26-4/h5-12H,1-4H3,(H,21,22)(H,23,27)
InChIKey
GOWGERXBUOVRNK-UHFFFAOYSA-N
Synonyms
713112-99-3
713112993
COc1ccccc1Nc1n(nH)c(=S)n1C(=O)c1ccc(cc1)C(C)(C)C
MFCD07200675
ZINC000005460657

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Available files

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