Vitas-M small molecule compound
6-methyl-4-phenyl-1-(propylsulfanyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK530335
SMILES CCCSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1)C(C)CCC3
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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/c1-3-12-27-21-23-22-20-24(14-9-5-4-6-10-14)18(26)17-16-13(2)8-7-11-15(16)28-19(17)25(20)21/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3InChIKey
MCERBAYYBXACEG-UHFFFAOYSA-NSynonyms
6methyl4phenyl1(propylsulfanyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
6methyl4phenyl1(propylthio)6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CCCSC1=NN=C2N1C3=C(C4=C(S3)CCCC4C)C(=O)N2C5=CC=CC=C5
InChI=1SC21H22N4OS2c1312272123222024(1495461014)18(26)171613(2)871115(16)2819(17)25(20)21h4691013H3781112H212H3
MFCD02235962
ZINC000002294298
ZINC000002294299
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