Vitas-M small molecule compound
4-(3-methylphenyl)-1-(prop-2-en-1-ylsulfanyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK540900
SMILES C=CCSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CCCC3
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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 C21H20N4OS2 MW 408.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4OS2/c1-3-11-27-21-23-22-20-24(14-8-6-7-13(2)12-14)18(26)17-15-9-4-5-10-16(15)28-19(17)25(20)21/h3,6-8,12H,1,4-5,9-11H2,2H3InChIKey
LCGOXQWYTRAGBT-UHFFFAOYSA-NSynonyms
384359-75-51(allylthio)4(mtolyl)6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
384359755
4(3methylphenyl)1(prop2en1ylsulfanyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NN=C4SCC=C)SC5=C3CCCC5
InChI=1SC21H20N4OS2c1311272123222024(1486713(2)1214)18(26)17159451016(15)2819(17)25(20)21h36812H145911H22H3
MFCD03283728
ZINC000002316760
ZINC02316760
ZINC2316760
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