Vitas-M small molecule compound
1-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-4,8-dimethyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK830903
SMILES CC1CCc2c(C1)sc1c2c(=O)n(c2n1c(SCc1ccc3c(c1)OCO3)nn2)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 C21H20N4O3S2 MW 440.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3S2/c1-11-3-5-13-16(7-11)30-19-17(13)18(26)24(2)20-22-23-21(25(19)20)29-9-12-4-6-14-15(8-12)28-10-27-14/h4,6,8,11H,3,5,7,9-10H2,1-2H3InChIKey
HWLPZNWZUMOZNN-UHFFFAOYSA-NSynonyms
1((13benzodioxol5ylmethyl)sulfanyl)48dimethyl6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((benzo(d)(13)dioxol5ylmethyl)thio)48dimethyl6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1CCC2=C(C1)SC3=C2C(=O)N(C4=NN=C(N34)SCC5=CC6=C(C=C5)OCO6)C
InChI=1SC21H20N4O3S2c111351316(711)301917(13)18(26)24(2)20222321(25(19)20)29912461415(812)28102714h46811H357910H212H3
MFCD02986275
ZINC000000986183
ZINC000000986184
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