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2,2'-[(11-tert-butyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine-3,7-diyl)disulfanediyl]bis[N-(diphenylmethyl)acetamide]

Catalog ID
STK942115
SMILES O=C(NC(c1ccccc1)c1ccccc1)CSc1nnc2n1c1sc3c(c1c1n2c(SCC(=O)NC(c2ccccc2)c2ccccc2)nn1)CCC(C3)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 C46H44N8O2S3 MW 837.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C46H44N8O2S3/c1-46(2,3)33-24-25-34-35(26-33)59-42-38(34)41-49-51-44(57-27-36(55)47-39(29-16-8-4-9-17-29)30-18-10-5-11-19-30)53(41)43-50-52-45(54(42)43)58-28-37(56)48-40(31-20-12-6-13-21-31)32-22-14-7-15-23-32/h4-23,33,39-40H,24-28H2,1-3H3,(H,47,5
InChIKey
YPNASJSTJDFGOE-UHFFFAOYSA-N
Synonyms

22((11(tertbutyl)10111213tetrahydrobenzo(45)thieno(32e)bis((124)triazolo)(43a43c)pyrimidine37diyl)bis(sulfanediyl))bis(Nbenzhydrylacetamide)
22((11tertbutyl10111213tetrahydro(1)benzothieno(32e)bis(124)triazolo(43a43c)pyrimidine37diyl)disulfanediyl)bis(N(diphenylmethyl)acetamide)
CC(C)(C)C1CCC2=C(C1)SC3=C2C4=NN=C(N4C5=NN=C(N35)SCC(=O)NC(C6=CC=CC=C6)C7=CC=CC=C7)SCC(=O)NC(C8=CC=CC=C8)C9=CC=CC=C9
InChI=1SC46H44N8O2S3c146(23)3324253435(2633)594238(34)41495144(572736(55)4739(29168491729)3018105111930)53(41)43505245(54(42)43)582837(56)4840(3120126132131)3222147152332h423333940H2428H213H3(H4755)(H4856)
MFCD03293450
ZINC000150412253
ZINC000150412257

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Available files

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

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