Vitas-M small molecule compound
2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-7-methyl-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK829957
SMILES CC1CCc2c(C1)sc1c2c(=O)n(c(n1)SCc1ccc2c(c1)OCO2)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 C25H22N2O3S2 MW 462.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O3S2/c1-15-7-9-18-21(11-15)32-23-22(18)24(28)27(17-5-3-2-4-6-17)25(26-23)31-13-16-8-10-19-20(12-16)30-14-29-19/h2-6,8,10,12,15H,7,9,11,13-14H2,1H3InChIKey
CXEPPOIGXPSWEA-UHFFFAOYSA-NSynonyms
315708-32-82((13benzodioxol5ylmethyl)sulfanyl)7methyl3phenyl5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2((benzo(d)(13)dioxol5ylmethyl)thio)7methyl3phenyl5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
2(13benzodioxol5ylmethylsulfanyl)7methyl3phenyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
315708328
CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6
InChI=1SC25H22N2O3S2c115791821(1115)322322(18)24(28)27(175324617)25(2623)3113168101920(1216)30142919h268101215H79111314H21H3
MFCD02233955
ZINC000001815313
ZINC000001815314
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