Vitas-M small molecule compound
1-(butylsulfanyl)-4-(3-methylphenyl)-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK540686
SMILES CCCCSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)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/c1-3-4-11-27-21-23-22-20-24(14-8-5-7-13(2)12-14)18(26)17-15-9-6-10-16(15)28-19(17)25(20)21/h5,7-8,12H,3-4,6,9-11H2,1-2H3InChIKey
NBWBJHZHUJFXLS-UHFFFAOYSA-NSynonyms
384370-54-11(butylsulfanyl)4(3methylphenyl)78dihydro6Hcyclopenta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1(butylthio)4(mtolyl)78dihydro4Hcyclopenta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(6H)one
384370541
CCCCSC1=NN=C2N1C3=C(C4=C(S3)CCC4)C(=O)N2C5=CC=CC(=C5)C
InChI=1SC21H22N4OS2c13411272123222024(1485713(2)1214)18(26)1715961016(15)2819(17)25(20)21h57812H346911H212H3
MFCD03284860
ZINC000002319305
ZINC02319305
ZINC2319305
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