Vitas-M small molecule compound

2-(4-methylbenzyl)-N,N'-di(1,3,4-thiadiazol-2-yl)butanediamide

Catalog ID
STL442252
SMILES O=C(CC(C(=O)Nc1nncs1)Cc1ccc(cc1)C)Nc1nncs1

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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 C16H16N6O2S2 MW 388.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N6O2S2/c1-10-2-4-11(5-3-10)6-12(14(24)20-16-22-18-9-26-16)7-13(23)19-15-21-17-8-25-15/h2-5,8-9,12H,6-7H2,1H3,(H,19,21,23)(H,20,22,24)
InChIKey
UDOOZVSJDBCJQU-UHFFFAOYSA-N
Synonyms

2((4METHYLPHENYL)METHYL)NNBIS(134THIADIAZOL2YL)BUTANEDIAMIDE
2(4METHYLBENZYL)N1N4BIS(134)THIADIAZOL2YLSUCCINAMIDE
2(4methylbenzyl)NNdi(134thiadiazol2yl)butanediamide
CC1=CC=C(C=C1)CC(CC(=O)NC2=NN=CS2)C(=O)NC3=NN=CS3
InChI=1SC16H16N6O2S2c1102411(5310)612(14(24)2016221892616)713(23)1915211782515h258912H67H21H3(H192123)(H202224)
MFCD07392228
ZINC000005000409
ZINC000005000410

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Available files

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