Vitas-M small molecule compound

8-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
STK829968
SMILES CCCSc1nnc2n1c1sc3c(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 C21H22N4OS2 MW 410.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4OS2/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/h4-8,13H,3,9-12H2,1-2H3
InChIKey
NFOILSSLTCCIBJ-UHFFFAOYSA-N
Synonyms

8methyl4phenyl1(propylsulfanyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
8methyl4phenyl1(propylthio)6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CCCSC1=NN=C2N1C3=C(C4=C(S3)CC(CC4)C)C(=O)N2C5=CC=CC=C5
InChI=1SC21H22N4OS2c1311272123222024(147546814)18(26)171510913(2)1216(15)2819(17)25(20)21h4813H3912H212H3
MFCD02242277
ZINC000002299575
ZINC000002299576

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Available files

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