Vitas-M small molecule compound
2,2'-(11,12-dihydro-10H-cyclopenta[4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine-3,7-diyldisulfanediyl)bis[N-(4-bromophenyl)acetamide]
Catalog ID
STK721054
SMILES O=C(Nc1ccc(cc1)Br)CSc1nnc2n1c1sc3c(c1c1n2c(SCC(=O)Nc2ccc(cc2)Br)nn1)CCC3
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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 C27H20Br2N8O2S3 MW 744.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20Br2N8O2S3/c28-14-4-8-16(9-5-14)30-20(38)12-40-26-34-32-23-22-18-2-1-3-19(18)42-24(22)37-25(36(23)26)33-35-27(37)41-13-21(39)31-17-10-6-15(29)7-11-17/h4-11H,1-3,12-13H2,(H,30,38)(H,31,39)InChIKey
UXCNMSWLACDDNX-UHFFFAOYSA-NSynonyms
22((1112dihydro10Hcyclopenta(45)thieno(32e)bis((124)triazolo)(43a43c)pyrimidine37diyl)bis(sulfanediyl))bis(N(4bromophenyl)acetamide)
22(1112dihydro10Hcyclopenta(45)thieno(32e)bis(124)triazolo(43a43c)pyrimidine37diyldisulfanediyl)bis(N(4bromophenyl)acetamide)
C1CC2=C(C1)SC3=C2C4=NN=C(N4C5=NN=C(N35)SCC(=O)NC6=CC=C(C=C6)Br)SCC(=O)NC7=CC=C(C=C7)Br
InChI=1SC27H20Br2N8O2S3c28144816(9514)3020(38)124026343223221821319(18)4224(22)3725(36(23)26)333527(37)411321(39)311710615(29)71117h411H131213H2(H3038)(H3139)
MFCD03296063
ZINC000097999625
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