Vitas-M small molecule compound
1-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-7-ethyl-4,7-dimethyl-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK768348
SMILES CCC1(C)OCc2c(C1)c1c(s2)n2c(SCc3ccc4c(c3)OCO4)nnc2n(c1=O)C
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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 C22H22N4O4S2 MW 470.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S2/c1-4-22(2)8-13-16(9-30-22)32-19-17(13)18(27)25(3)20-23-24-21(26(19)20)31-10-12-5-6-14-15(7-12)29-11-28-14/h5-7H,4,8-11H2,1-3H3InChIKey
MWKOSNVZZWNYQE-UHFFFAOYSA-NSynonyms
1((13benzodioxol5ylmethyl)sulfanyl)7ethyl47dimethyl69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((benzo(d)(13)dioxol5ylmethyl)thio)7ethyl47dimethyl67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
CCC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SCC5=CC6=C(C=C5)OCO6)C)C
InChI=1SC22H22N4O4S2c1422(2)81316(93022)321917(13)18(27)25(3)20232421(26(19)20)311012561415(712)29112814h57H4811H213H3
MFCD02236344
ZINC000000717962
ZINC000000717965
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