Vitas-M small molecule compound
2-(benzylsulfanyl)-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK831023
SMILES Cc1ccc(cc1)n1c(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 C25H24N2OS2 MW 432.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2OS2/c1-17-12-14-19(15-13-17)27-24(28)22-20-10-6-3-7-11-21(20)30-23(22)26-25(27)29-16-18-8-4-2-5-9-18/h2,4-5,8-9,12-15H,3,6-7,10-11,16H2,1H3InChIKey
KUIHOHDVAIVMBB-UHFFFAOYSA-NSynonyms
351162-40-82(benzylsulfanyl)3(4methylphenyl)356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
2(benzylthio)3(ptolyl)6789tetrahydro3Hcyclohepta(45)thieno(23d)pyrimidin4(5H)one
2benzylsulfanyl3(4methylphenyl)6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin4one
351162408
CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC=CC=C4)SC5=C3CCCCC5
InChI=1SC25H24N2OS2c117121419(151317)2724(28)2220106371121(20)3023(22)2625(27)2916188425918h245891215H367101116H21H3
MFCD01878146
ZINC000002273785
ZINC02273785
ZINC2273785
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