Vitas-M small molecule compound
methyl 2-({[6-methyl-3-(2-methylpropyl)-2-(methylsulfanyl)-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl]acetyl}amino)benzoate
Catalog ID
STL111609
SMILES COC(=O)c1ccccc1NC(=O)Cn1c(C)cc2c1c(=O)n(c(n2)SC)CC(C)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 C22H26N4O4S MW 442.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O4S/c1-13(2)11-26-20(28)19-17(24-22(26)31-5)10-14(3)25(19)12-18(27)23-16-9-7-6-8-15(16)21(29)30-4/h6-10,13H,11-12H2,1-5H3,(H,23,27)InChIKey
HGHBLJWRIMNXJG-UHFFFAOYSA-NSynonyms
CC1=CC2=C(N1CC(=O)NC3=CC=CC=C3C(=O)OC)C(=O)N(C(=N2)SC)CC(C)C
InChI=1SC22H26N4O4Sc113(2)112620(28)1917(2422(26)315)1014(3)25(19)1218(27)2316976815(16)21(29)304h61013H1112H215H3(H2327)
methyl2(((6methyl3(2methylpropyl)2(methylsulfanyl)4oxo34dihydro5Hpyrrolo(32d)pyrimidin5yl)acetyl)amino)benzoate
methyl2((2(6methyl3(2methylpropyl)2methylsulfanyl4oxopyrrolo(32d)pyrimidin5yl)acetyl)amino)benzoate
MFCD20746490
ZINC000067319918
ZINC67319918
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