Vitas-M small molecule compound
3-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
Catalog ID
STK829954
SMILES CC1CCc2c(C1)sc1c2c2nnc(n2cn1)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 C20H18N4O2S2 MW 410.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O2S2/c1-11-2-4-13-16(6-11)28-19-17(13)18-22-23-20(24(18)9-21-19)27-8-12-3-5-14-15(7-12)26-10-25-14/h3,5,7,9,11H,2,4,6,8,10H2,1H3InChIKey
GMOIXBCDZFYGKX-UHFFFAOYSA-NSynonyms
3((13benzodioxol5ylmethyl)sulfanyl)9methyl891011tetrahydro(1)benzothieno(32e)(124)triazolo(43c)pyrimidine
3((benzo(d)(13)dioxol5ylmethyl)thio)9methyl891011tetrahydrobenzo(45)thieno(32e)(124)triazolo(43c)pyrimidine
CC1CCC2=C(C1)SC3=C2C4=NN=C(N4C=N3)SCC5=CC6=C(C=C5)OCO6
InChI=1SC20H18N4O2S2c111241316(611)281917(13)18222320(24(18)92119)27812351415(712)26102514h357911H246810H21H3
MFCD02236261
ZINC000001162035
ZINC000001162036
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