Vitas-M small molecule compound
2-({[(1E)-8-ethoxy-1-{2-[(5Z)-5-(2-methoxy-2-oxoethylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]hydrazinylidene}-4,4-dimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-6-yl]methyl}sulfanyl)pyridine-3-carboxylic acid
Catalog ID
STL584112
SMILES CCOc1cc2/C(=N\NC3=NC(=O)/C(=C/C(=O)OC)/S3)/C(=O)N3c2c(c1)C(=CC3(C)C)CSc1ncccc1C(=O)O
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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 C28H25N5O7S2 MW 607.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N5O7S2/c1-5-40-15-9-17-14(13-41-24-16(26(37)38)7-6-8-29-24)12-28(2,3)33-22(17)18(10-15)21(25(33)36)31-32-27-30-23(35)19(42-27)11-20(34)39-4/h6-12H,5,13H2,1-4H3,(H,37,38)(H,30,32,35)/b19-11-,31-21+InChIKey
HIDXWZRVJUEVGM-WGVXWCRASA-NSynonyms
2((((1E)8ethoxy1(2((5Z)5(2methoxy2oxoethylidene)4oxo45dihydro13thiazol2yl)hydrazinylidene)44dimethyl2oxo12dihydro4Hpyrrolo(321ij)quinolin6yl)methyl)sulfanyl)pyridine3carboxylicacid
InChI=1SC28H25N5O7S2c15401591714(13412416(26(37)38)7682924)1228(23)3322(17)18(1015)21(25(33)36)3132273023(35)19(4227)1120(34)394h612H513H214H3(H3738)(H303235)b19113121+
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