Vitas-M small molecule compound
1-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-(2-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
STK722241
SMILES Brc1ccc(cc1)C(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccccc1C)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 C25H19BrN4O2S2 MW 551.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19BrN4O2S2/c1-14-5-2-3-7-18(14)29-22(32)21-17-6-4-8-20(17)34-23(21)30-24(29)27-28-25(30)33-13-19(31)15-9-11-16(26)12-10-15/h2-3,5,7,9-12H,4,6,8,13H2,1H3InChIKey
XECIKODNSZZXOZ-UHFFFAOYSA-NSynonyms
1((2(4bromophenyl)2oxoethyl)sulfanyl)4(2methylphenyl)78dihydro6Hcyclopenta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((2(4bromophenyl)2oxoethyl)thio)4(otolyl)78dihydro4Hcyclopenta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(6H)one
CC1=CC=CC=C1N2C(=O)C3=C(N4C2=NN=C4SCC(=O)C5=CC=C(C=C5)Br)SC6=C3CCC6
InChI=1SC25H19BrN4O2S2c114523718(14)2922(32)211764820(17)3423(21)3024(29)272825(30)331319(31)1591116(26)121015h2357912H46813H21H3
MFCD02988383
ZINC000002588007
ZINC02588007
ZINC2588007
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