Vitas-M small molecule compound
2-{[5-(benzylsulfanyl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Catalog ID
STK720393
SMILES O=C(Nc1cccc(c1)C)CSc1nnc2n1c(SCc1ccccc1)nc1c2c2CCCCc2s1
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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 C27H25N5OS3 MW 531.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5OS3/c1-17-8-7-11-19(14-17)28-22(33)16-35-27-31-30-24-23-20-12-5-6-13-21(20)36-25(23)29-26(32(24)27)34-15-18-9-3-2-4-10-18/h2-4,7-11,14H,5-6,12-13,15-16H2,1H3,(H,28,33)InChIKey
GQWAEEVNMYQWPP-UHFFFAOYSA-NSynonyms
843621-65-82((5(benzylsulfanyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(43c)pyrimidin3yl)sulfanyl)N(3methylphenyl)acetamide
2((5(benzylthio)891011tetrahydrobenzo(45)thieno(32e)(124)triazolo(43c)pyrimidin3yl)thio)N(mtolyl)acetamide
843621658
CC1=CC(=CC=C1)NC(=O)CSC2=NN=C3N2C(=NC4=C3C5=C(S4)CCCC5)SCC6=CC=CC=C6
InChI=1SC27H25N5OS3c117871119(1417)2822(33)163527313024232012561321(20)3625(23)2926(32(24)27)34151893241018h2471114H5612131516H21H3(H2833)
MFCD04015458
ZINC000097953021
ZINC97953021
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