Vitas-M small molecule compound

1-(2-methylprop-2-en-1-yl)-3-(methylsulfanyl)-1,6,7,8,9,10-hexahydro-5H-cyclohepta[4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5-one

Catalog ID
STK930955
SMILES CSc1nn(c2n1c(=O)c1c(n2)sc2c1CCCCC2)CC(=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 C17H20N4OS2 MW 360.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N4OS2/c1-10(2)9-20-16-18-14-13(15(22)21(16)17(19-20)23-3)11-7-5-4-6-8-12(11)24-14/h1,4-9H2,2-3H3
InChIKey
KVNZHZCPWNUOLN-UHFFFAOYSA-N
Synonyms
1219573-52-0
1(2methylallyl)3(methylthio)78910tetrahydro1Hcyclohepta(45)thieno(23d)(124)triazolo(43a)pyrimidin5(6H)one
1(2methylprop2en1yl)3(methylsulfanyl)1678910hexahydro5Hcyclohepta(45)thieno(23d)(124)triazolo(43a)pyrimidin5one
1219573520
CC(=C)CN1C2=NC3=C(C4=C(S3)CCCCC4)C(=O)N2C(=N1)SC
InChI=1SC17H20N4OS2c110(2)92016181413(15(22)21(16)17(1920)233)117546812(11)2414h149H223H3
MFCD16623607
ZINC000040267082
ZINC40267082

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Available files

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