Vitas-M small molecule compound
8-tert-butyl-4-phenyl-1-sulfanyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK698847
SMILES O=c1c2c3CCC(Cc3sc2n2c(n1c1ccccc1)nnc2S)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 C21H22N4OS2 MW 410.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4OS2/c1-21(2,3)12-9-10-14-15(11-12)28-18-16(14)17(26)24(13-7-5-4-6-8-13)19-22-23-20(27)25(18)19/h4-8,12H,9-11H2,1-3H3,(H,23,27)InChIKey
PPOYNLBIOQUTIK-UHFFFAOYSA-NSynonyms
354992-62-4354992624
8(tertbutyl)1mercapto4phenyl6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
8tertbutyl4phenyl1sulfanyl6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C4=NNC(=S)N34)C5=CC=CC=C5
InChI=1SC21H22N4OS2c121(23)129101415(1112)281816(14)17(26)24(137546813)19222320(27)25(18)19h4812H911H213H3(H2327)
MFCD01878102
ZINC000006166614
ZINC000006166853
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