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-phenylethanone)
Catalog ID
STK928558
SMILES O=C(c1ccccc1)CSc1nnc2n1c1sc3c(c1c1n2c(SCC(=O)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 C32H30N6O2S3 MW 626.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N6O2S3/c1-32(2,3)21-14-15-22-25(16-21)43-28-26(22)27-33-35-30(41-17-23(39)19-10-6-4-7-11-19)37(27)29-34-36-31(38(28)29)42-18-24(40)20-12-8-5-9-13-20/h4-13,21H,14-18H2,1-3H3InChIKey
KNKXRFXQCIZYQZ-UHFFFAOYSA-NSynonyms
672264-92-522((11(tertbutyl)10111213tetrahydrobenzo(45)thieno(32e)bis((124)triazolo)(43a43c)pyrimidine37diyl)bis(sulfanediyl))bis(1phenylethanone)
22((11tertbutyl10111213tetrahydro(1)benzothieno(32e)bis(124)triazolo(43a43c)pyrimidine37diyl)disulfanediyl)bis(1phenylethanone)
672264925
CC(C)(C)C1CCC2=C(C1)SC3=C2C4=NN=C(N4C5=NN=C(N35)SCC(=O)C6=CC=CC=C6)SCC(=O)C7=CC=CC=C7
InChI=1SC32H30N6O2S3c132(23)2114152225(1621)432826(22)27333530(411723(39)19106471119)37(27)29343631(38(28)29)421824(40)20128591320h41321H1418H213H3
MFCD03801123
ZINC000101542593
ZINC000101542602
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