Vitas-M small molecule compound
1-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-8-methyl-4-phenyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK926051
SMILES CC1CCc2c(C1)sc1c2c(=O)n(c2n1c(SCc1ccc3c(c1)OCO3)nn2)c1ccccc1
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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 C26H22N4O3S2 MW 502.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O3S2/c1-15-7-9-18-21(11-15)35-24-22(18)23(31)29(17-5-3-2-4-6-17)25-27-28-26(30(24)25)34-13-16-8-10-19-20(12-16)33-14-32-19/h2-6,8,10,12,15H,7,9,11,13-14H2,1H3InChIKey
KOXCDHCWLCKHDL-UHFFFAOYSA-NSynonyms
396101-26-11((13benzodioxol5ylmethyl)sulfanyl)8methyl4phenyl6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((benzo(d)(13)dioxol5ylmethyl)thio)8methyl4phenyl6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
396101261
CC1CCC2=C(C1)SC3=C2C(=O)N(C4=NN=C(N34)SCC5=CC6=C(C=C5)OCO6)C7=CC=CC=C7
InChI=1SC26H22N4O3S2c115791821(1115)352422(18)23(31)29(175324617)25272826(30(24)25)3413168101920(1216)33143219h268101215H79111314H21H3
MFCD02236367
ZINC000002413082
ZINC000002413083
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