Vitas-M small molecule compound
4-(4-methylphenyl)-1-[(2-methylprop-2-en-1-yl)sulfanyl]-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK831064
SMILES CC(=C)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)C)CCCCC3
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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 C23H24N4OS2 MW 436.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4OS2/c1-14(2)13-29-23-25-24-22-26(16-11-9-15(3)10-12-16)20(28)19-17-7-5-4-6-8-18(17)30-21(19)27(22)23/h9-12H,1,4-8,13H2,2-3H3InChIKey
MVVZSDUFIRURMH-UHFFFAOYSA-NSynonyms
351004-58-51((2methylallyl)thio)4(ptolyl)78910tetrahydro4Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(6H)one
351004585
4(4methylphenyl)1((2methylprop2en1yl)sulfanyl)78910tetrahydro6Hcyclohepta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=C)C)SC5=C3CCCCC5
InChI=1SC23H24N4OS2c114(2)13292325242226(1611915(3)101216)20(28)19177546818(17)3021(19)27(22)23h912H14813H223H3
MFCD01955673
ZINC000002956628
ZINC02956628
ZINC2956628
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