Vitas-M small molecule compound
2-[6-methyl-3-(2-methylpropyl)-2-(methylsulfanyl)-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Catalog ID
STL111585
SMILES CSc1nc2cc(n(c2c(=O)n1CC(C)C)CC(=O)Nc1cccc(c1)C(F)(F)F)C
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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 C21H23F3N4O2S MW 452.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23F3N4O2S/c1-12(2)10-28-19(30)18-16(26-20(28)31-4)8-13(3)27(18)11-17(29)25-15-7-5-6-14(9-15)21(22,23)24/h5-9,12H,10-11H2,1-4H3,(H,25,29)InChIKey
PBSGLIKTFKAVTN-UHFFFAOYSA-NSynonyms
2(6methyl3(2methylpropyl)2(methylsulfanyl)4oxo34dihydro5Hpyrrolo(32d)pyrimidin5yl)N(3(trifluoromethyl)phenyl)acetamide
2(6methyl3(2methylpropyl)2methylsulfanyl4oxopyrrolo(32d)pyrimidin5yl)N(3(trifluoromethyl)phenyl)acetamide
CC1=CC2=C(N1CC(=O)NC3=CC=CC(=C3)C(F)(F)F)C(=O)N(C(=N2)SC)CC(C)C
InChI=1SC21H23F3N4O2Sc112(2)102819(30)1816(2620(28)314)813(3)27(18)1117(29)251575614(915)21(2223)24h5912H1011H214H3(H2529)
MFCD20746466
ZINC000067319846
ZINC67319846
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