Vitas-M small molecule compound
8-methyl-4-phenyl-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
STK722740
SMILES C=CCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)CCC(C3)C
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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(14-7-5-4-6-8-14)18(26)17-15-10-9-13(2)12-16(15)28-19(17)25(20)21/h3-8,13H,1,9-12H2,2H3InChIKey
ATPKTFARTZRQAD-UHFFFAOYSA-NSynonyms
1(allylthio)8methyl4phenyl6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
8methyl4phenyl1(prop2en1ylsulfanyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1CCC2=C(C1)SC3=C2C(=O)N(C4=NN=C(N34)SCC=C)C5=CC=CC=C5
InChI=1SC21H20N4OS2c1311272123222024(147546814)18(26)171510913(2)1216(15)2819(17)25(20)21h3813H1912H22H3
MFCD02238473
ZINC000002296432
ZINC000002296433
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