Vitas-M small molecule compound
3-(2-methylprop-2-en-1-yl)-2-(methylsulfanyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK993878
SMILES CSc1nc2sc3c(c2c(=O)n1CC(=C)C)CCCCC3
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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 C16H20N2OS2 MW 320.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N2OS2/c1-10(2)9-18-15(19)13-11-7-5-4-6-8-12(11)21-14(13)17-16(18)20-3/h1,4-9H2,2-3H3InChIKey
BBBSBNACDQJOQI-UHFFFAOYSA-NSynonyms
3(2methylprop2en1yl)2(methylsulfanyl)356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
3(2methylprop2enyl)2methylsulfanyl6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin4one
CC(=C)CN1C(=O)C2=C(N=C1SC)SC3=C2CCCCC3
InChI=1SC16H20N2OS2c110(2)91815(19)13117546812(11)2114(13)1716(18)203h149H223H3
MFCD02086000
ZINC000004907124
ZINC04907124
ZINC4907124
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