Vitas-M small molecule compound
2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-6-ethyl-3-(4-methoxyphenyl)-6-methyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK531110
SMILES CCC1(C)OCc2c(C1)c1c(s2)nc(n(c1=O)c1ccc(cc1)OC)SCc1ccc2c(c1)OCO2
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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 C27H26N2O5S2 MW 522.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O5S2/c1-4-27(2)12-19-22(13-34-27)36-24-23(19)25(30)29(17-6-8-18(31-3)9-7-17)26(28-24)35-14-16-5-10-20-21(11-16)33-15-32-20/h5-11H,4,12-15H2,1-3H3InChIKey
IBJJQUFTXXFPMD-UHFFFAOYSA-NSynonyms
2((13benzodioxol5ylmethyl)sulfanyl)6ethyl3(4methoxyphenyl)6methyl3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin4one
2((benzo(d)(13)dioxol5ylmethyl)thio)6ethyl3(4methoxyphenyl)6methyl56dihydro3Hpyrano(4345)thieno(23d)pyrimidin4(8H)one
2(13benzodioxol5ylmethylsulfanyl)6ethyl3(4methoxyphenyl)6methyl58dihydropyrano(23)thieno(24b)pyrimidin4one
CCC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC4=CC5=C(C=C4)OCO5)C6=CC=C(C=C6)OC)C
InChI=1SC27H26N2O5S2c1427(2)121922(133427)362423(19)25(30)29(176818(313)9717)26(2824)3514165102021(1116)33153220h511H41215H213H3
MFCD02242462
ZINC000001815643
ZINC000001815644
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