Vitas-M small molecule compound
3-benzyl-2-(prop-2-en-1-ylsulfanyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK831045
SMILES C=CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)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 C21H22N2OS2 MW 382.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2OS2/c1-2-13-25-21-22-19-18(16-11-7-4-8-12-17(16)26-19)20(24)23(21)14-15-9-5-3-6-10-15/h2-3,5-6,9-10H,1,4,7-8,11-14H2InChIKey
XBOGZABBICHFMR-UHFFFAOYSA-NSynonyms
351161-62-12(allylthio)3benzyl6789tetrahydro3Hcyclohepta(45)thieno(23d)pyrimidin4(5H)one
351161621
3benzyl2(prop2en1ylsulfanyl)356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
3benzyl2prop2enylsulfanyl6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin4one
C=CCSC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1CC4=CC=CC=C4
InChI=1SC21H22N2OS2c12132521221918(16117481217(16)2619)20(24)23(21)141595361015h2356910H14781114H2
MFCD01879424
ZINC000002275050
ZINC02275050
ZINC2275050
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