Vitas-M small molecule compound

4-benzyl-5-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK450124
SMILES Sc1nnc(n1Cc1ccccc1)c1csc2c1CCC(C2)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 C21H25N3S2 MW 383.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3S2/c1-21(2,3)15-9-10-16-17(13-26-18(16)11-15)19-22-23-20(25)24(19)12-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3,(H,23,25)
InChIKey
XSWCGWMMVWNOSJ-UHFFFAOYSA-N
Synonyms

4benzyl3(6tertbutyl4567tetrahydro1benzothiophen3yl)1H124triazole5thione
4benzyl5(6tertbutyl4567tetrahydro1benzothiophen3yl)4H124triazole3thiol
CC(C)(C)C1CCC2=C(C1)SC=C2C3=NNC(=S)N3CC4=CC=CC=C4
InChI=1SC21H25N3S2c121(23)159101617(132618(16)1115)19222320(25)24(19)12147546814h481315H912H213H3(H2325)
MFCD03468100
ZINC000006615433
ZINC000006615456

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Available files

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