Vitas-M small molecule compound
2-(heptylsulfanyl)-3-(4-methoxyphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK722441
SMILES CCCCCCCSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OC)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 C25H32N2O2S2 MW 456.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N2O2S2/c1-3-4-5-6-10-17-30-25-26-23-22(20-11-8-7-9-12-21(20)31-23)24(28)27(25)18-13-15-19(29-2)16-14-18/h13-16H,3-12,17H2,1-2H3InChIKey
ZPHGNOBNHWHQNH-UHFFFAOYSA-NSynonyms
351160-19-52(heptylsulfanyl)3(4methoxyphenyl)356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
2(heptylthio)3(4methoxyphenyl)6789tetrahydro3Hcyclohepta(45)thieno(23d)pyrimidin4(5H)one
2heptylsulfanyl3(4methoxyphenyl)6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin4one
351160195
CCCCCCCSC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1C4=CC=C(C=C4)OC
InChI=1SC25H32N2O2S2c1345610173025262322(20118791221(20)3123)24(28)27(25)18131519(292)161418h1316H31217H212H3
MFCD01878765
ZINC000008432257
ZINC08432257
ZINC8432257
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