Vitas-M small molecule compound
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[1-(4-bromophenyl)ethanone]
Catalog ID
STK929216
SMILES Brc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c1n2c(SCC(=O)c2ccc(cc2)Br)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 C32H28Br2N6O2S3 MW 784.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28Br2N6O2S3/c1-32(2,3)19-8-13-22-25(14-19)45-28-26(22)27-35-37-30(43-15-23(41)17-4-9-20(33)10-5-17)39(27)29-36-38-31(40(28)29)44-16-24(42)18-6-11-21(34)12-7-18/h4-7,9-12,19H,8,13-16H2,1-3H3InChIKey
DZECMKPNKMAZTE-UHFFFAOYSA-NSynonyms
22((11(tertbutyl)10111213tetrahydrobenzo(45)thieno(32e)bis((124)triazolo)(43a43c)pyrimidine37diyl)bis(sulfanediyl))bis(1(4bromophenyl)ethanone)
22((11tertbutyl10111213tetrahydro(1)benzothieno(32e)bis(124)triazolo(43a43c)pyrimidine37diyl)disulfanediyl)bis(1(4bromophenyl)ethanone)
CC(C)(C)C1CCC2=C(C1)SC3=C2C4=NN=C(N4C5=NN=C(N35)SCC(=O)C6=CC=C(C=C6)Br)SCC(=O)C7=CC=C(C=C7)Br
InChI=1SC32H28Br2N6O2S3c132(23)198132225(1419)452826(22)27353730(431523(41)174920(33)10517)39(27)29363831(40(28)29)441624(42)1861121(34)12718h4791219H81316H213H3
MFCD04072375
ZINC000150400845
ZINC000150400850
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