Vitas-M small molecule compound

N-{5-[(2-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-propoxybenzamide

Catalog ID
STK881882
SMILES CCCOc1ccc(cc1)C(=O)Nc1nnc(s1)SCc1ccccc1C

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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 C20H21N3O2S2 MW 399.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O2S2/c1-3-12-25-17-10-8-15(9-11-17)18(24)21-19-22-23-20(27-19)26-13-16-7-5-4-6-14(16)2/h4-11H,3,12-13H2,1-2H3,(H,21,22,24)
InChIKey
VEIFARQGQSZOOW-UHFFFAOYSA-N
Synonyms

CCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3C
InChI=1SC20H21N3O2S2c1312251710815(91117)18(24)2119222320(2719)261316754614(16)2h411H31213H212H3(H212224)
MFCD06001593
N(5((2methylbenzyl)sulfanyl)134thiadiazol2yl)4propoxybenzamide
N(5((2METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4PROPOXYBENZAMIDE
ZINC000002870615
ZINC02870615
ZINC2870615

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Available files

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