Vitas-M small molecule compound
4-(4-methylphenyl)-1-[(2-oxo-2-phenylethyl)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
STL477345
SMILES Cc1ccc(cc1)n1c(=O)c2c3CCCc3sc2n2c1nnc2SCC(=O)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 C25H20N4O2S2 MW 472.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N4O2S2/c1-15-10-12-17(13-11-15)28-22(31)21-18-8-5-9-20(18)33-23(21)29-24(28)26-27-25(29)32-14-19(30)16-6-3-2-4-7-16/h2-4,6-7,10-13H,5,8-9,14H2,1H3InChIKey
YFXXQOQCSYBKOS-UHFFFAOYSA-NSynonyms
4(4methylphenyl)1((2oxo2phenylethyl)sulfanyl)78dihydro6Hcyclopenta(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)C5=CC=CC=C5)SC6=C3CCC6
InChI=1SC25H20N4O2S2c115101217(131115)2822(31)211885920(18)3323(21)2924(28)262725(29)321419(30)166324716h24671013H58914H21H3
MFCD02631037
ZINC000001177404
ZINC01177404
ZINC1177404
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