Vitas-M small molecule compound
1-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-8-tert-butyl-4-methyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK831460
SMILES Cn1c2nnc(n2c2c(c1=O)c1CCC(Cc1s2)C(C)(C)C)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 C24H26N4O3S2 MW 482.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O3S2/c1-24(2,3)14-6-7-15-18(10-14)33-21-19(15)20(29)27(4)22-25-26-23(28(21)22)32-11-13-5-8-16-17(9-13)31-12-30-16/h5,8-9,14H,6-7,10-12H2,1-4H3InChIKey
SETPBFAQJUDEJL-UHFFFAOYSA-NSynonyms
1((13benzodioxol5ylmethyl)sulfanyl)8tertbutyl4methyl6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((benzo(d)(13)dioxol5ylmethyl)thio)8(tertbutyl)4methyl6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C4=NN=C(N34)SCC5=CC6=C(C=C5)OCO6)C
InChI=1SC24H26N4O3S2c124(23)14671518(1014)332119(15)20(29)27(4)22252623(28(21)22)321113581617(913)31123016h58914H671012H214H3
MFCD02241752
ZINC000001177227
ZINC000001177228
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