Vitas-M small molecule compound
pentyl {[6-ethyl-3-(4-methoxyphenyl)-6-methyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Catalog ID
STK722245
SMILES CCCCCOC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)OC)CC(OC3)(C)CC
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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 C26H32N2O5S2 MW 516.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O5S2/c1-5-7-8-13-32-21(29)16-34-25-27-23-22(19-14-26(3,6-2)33-15-20(19)35-23)24(30)28(25)17-9-11-18(31-4)12-10-17/h9-12H,5-8,13-16H2,1-4H3InChIKey
ZEXDJBLXFWYKDR-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)CSC1=NC2=C(C3=C(S2)COC(C3)(C)CC)C(=O)N1C4=CC=C(C=C4)OC
InChI=1SC26H32N2O5S2c1578133221(29)163425272322(191426(362)331520(19)3523)24(30)28(25)1791118(314)121017h912H581316H214H3
MFCD02238489
pentyl((6ethyl3(4methoxyphenyl)6methyl4oxo3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)acetate
pentyl2((6ethyl3(4methoxyphenyl)6methyl4oxo4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin2yl)thio)acetate
pentyl2((6ethyl3(4methoxyphenyl)6methyl4oxo58dihydropyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)acetate
ZINC000001903220
ZINC000001903223
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