Vitas-M small molecule compound
8-methyl-4-phenyl-1-(propan-2-ylsulfanyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK530079
SMILES CC1CCc2c(C1)sc1c2c(=O)n(c2n1c(nn2)SC(C)C)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 C21H22N4OS2 MW 410.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4OS2/c1-12(2)27-21-23-22-20-24(14-7-5-4-6-8-14)18(26)17-15-10-9-13(3)11-16(15)28-19(17)25(20)21/h4-8,12-13H,9-11H2,1-3H3InChIKey
CJJFKXOWFXKMMY-UHFFFAOYSA-NSynonyms
1(isopropylthio)8methyl4phenyl6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
8methyl4phenyl1(propan2ylsulfanyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1CCC2=C(C1)SC3=C2C(=O)N(C4=NN=C(N34)SC(C)C)C5=CC=CC=C5
InChI=1SC21H22N4OS2c112(2)272123222024(147546814)18(26)171510913(3)1116(15)2819(17)25(20)21h481213H911H213H3
MFCD02233653
ZINC000002292037
ZINC000002292038
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