Vitas-M small molecule compound
3-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-5-(methylsulfanyl)-10-(propan-2-yl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Catalog ID
STK926060
SMILES CSc1nc2sc3c(c2c2n1c(SCc1ccc4c(c1)OCO4)nn2)CC(OC3)C(C)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 C22H22N4O3S3 MW 486.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S3/c1-11(2)15-7-13-17(8-27-15)32-20-18(13)19-24-25-22(26(19)21(23-20)30-3)31-9-12-4-5-14-16(6-12)29-10-28-14/h4-6,11,15H,7-10H2,1-3H3InChIKey
LFFAAEOCSMWSMP-UHFFFAOYSA-NSynonyms
369403-37-23((13benzodioxol5ylmethyl)sulfanyl)5(methylsulfanyl)10(propan2yl)1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidine
3((benzo(d)(13)dioxol5ylmethyl)thio)10isopropyl5(methylthio)1011dihydro8Hpyrano(4345)thieno(32e)(124)triazolo(43c)pyrimidine
369403372
CC(C)C1CC2=C(CO1)SC3=C2C4=NN=C(N4C(=N3)SC)SCC5=CC6=C(C=C5)OCO6
InChI=1SC22H22N4O3S3c111(2)1571317(82715)322018(13)19242522(26(19)21(2320)303)31912451416(612)29102814h461115H710H213H3
MFCD03010881
ZINC000002316279
ZINC000002316280
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