Vitas-M small molecule compound
2-{[5-(benzylsulfanyl)-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-phenylethanone
Catalog ID
STK829818
SMILES O=C(c1ccccc1)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCc2s1
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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 C25H20N4OS3 MW 488.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N4OS3/c30-19(17-10-5-2-6-11-17)15-32-25-28-27-22-21-18-12-7-13-20(18)33-23(21)26-24(29(22)25)31-14-16-8-3-1-4-9-16/h1-6,8-11H,7,12-15H2InChIKey
BGGZSTVTGABTNM-UHFFFAOYSA-NSynonyms
573693-68-22((5(benzylsulfanyl)910dihydro8Hcyclopenta(45)thieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)1phenylethanone
2((5(benzylthio)910dihydro8Hcyclopenta(45)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)1phenylethanone
573693682
C1CC2=C(C1)SC3=C2C4=NN=C(N4C(=N3)SCC5=CC=CC=C5)SCC(=O)C6=CC=CC=C6
InChI=1SC25H20N4OS3c3019(17105261117)15322528272221181271320(18)3323(21)2624(29(22)25)3114168314916h16811H71215H2
MFCD04017468
ZINC000002359343
ZINC02359343
ZINC2359343
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