Vitas-M small molecule compound
1-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-4-(2-phenylethyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK720510
SMILES O=c1c2c3CCCCc3sc2n2c(n1CCc1ccccc1)nnc2SCc1ccc2c(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 C27H24N4O3S2 MW 516.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O3S2/c32-24-23-19-8-4-5-9-22(19)36-25(23)31-26(30(24)13-12-17-6-2-1-3-7-17)28-29-27(31)35-15-18-10-11-20-21(14-18)34-16-33-20/h1-3,6-7,10-11,14H,4-5,8-9,12-13,15-16H2InChIKey
INKGAJYRPIWVDL-UHFFFAOYSA-NSynonyms
489424-19-31((13benzodioxol5ylmethyl)sulfanyl)4(2phenylethyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((benzo(d)(13)dioxol5ylmethyl)thio)4phenethyl6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
489424193
C1CCC2=C(C1)C3=C(S2)N4C(=NN=C4SCC5=CC6=C(C=C5)OCO6)N(C3=O)CCC7=CC=CC=C7
InChI=1SC27H24N4O3S2c32242319845922(19)3625(23)3126(30(24)1312176213717)282927(31)35151810112021(1418)34163320h1367101114H458912131516H2
MFCD03296933
ZINC000001819826
ZINC01819826
ZINC1819826
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