Vitas-M small molecule compound
2-(benzylsulfanyl)-3-(2-methylprop-2-en-1-yl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK993876
SMILES CC(=C)Cn1c(SCc2ccccc2)nc2c(c1=O)c1CCCCCc1s2
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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 C22H24N2OS2 MW 396.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2OS2/c1-15(2)13-24-21(25)19-17-11-7-4-8-12-18(17)27-20(19)23-22(24)26-14-16-9-5-3-6-10-16/h3,5-6,9-10H,1,4,7-8,11-14H2,2H3InChIKey
JBPTZFNIGGDFSC-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)3(2methylprop2en1yl)356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
2benzylsulfanyl3(2methylprop2enyl)6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin4one
CC(=C)CN1C(=O)C2=C(N=C1SCC3=CC=CC=C3)SC4=C2CCCCC4
InChI=1SC22H24N2OS2c115(2)132421(25)1917117481218(17)2720(19)2322(24)26141695361016h356910H14781114H22H3
MFCD02631040
ZINC000002892011
ZINC02892011
ZINC2892011
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