Vitas-M small molecule compound
4-(4-methylphenyl)-1-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK844733
SMILES Cc1ccc(cc1)n1c(=O)c2c3CCCc3sc2n2c1nnc2SC/C=C/c1ccccc1
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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 C26H22N4OS2 MW 470.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4OS2/c1-17-12-14-19(15-13-17)29-23(31)22-20-10-5-11-21(20)33-24(22)30-25(29)27-28-26(30)32-16-6-9-18-7-3-2-4-8-18/h2-4,6-9,12-15H,5,10-11,16H2,1H3/b9-6+InChIKey
GRAALEUQLACRHR-RMKNXTFCSA-NSynonyms
713113-06-51(cinnamylthio)4(ptolyl)78dihydro4Hcyclopenta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(6H)one
4(4methylphenyl)1(((2E)3phenylprop2en1yl)sulfanyl)78dihydro6Hcyclopenta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
713113065
CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC=CC5=CC=CC=C5)SC6=C3CCC6
Cc1ccc(cc1)n1c(=O)c2c3CCCc3sc2n2c1nnc2SCC=Cc1ccccc1
InChI=1SC26H22N4OS2c117121419(151317)2923(31)22201051121(20)3324(22)3025(29)272826(30)321669187324818h24691215H5101116H21H3b96+
MFCD03681574
ZINC000002234454
ZINC02234454
ZINC2234454
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