Vitas-M small molecule compound
propyl 2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403097
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cc(cc3)C)C(=O)CC(C2)c1cccs1
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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 C28H27NO5S MW 489.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO5S/c1-4-9-33-28(32)24-16(3)29-20-12-17(23-6-5-10-35-23)13-21(30)26(20)25(24)19-14-34-22-8-7-15(2)11-18(22)27(19)31/h5-8,10-11,14,17,25,29H,4,9,12-13H2,1-3H3InChIKey
OLICQDCLMHXMNX-UHFFFAOYSA-NSynonyms
CCCOC(=O)C1=C(NC2=C(C1C3=COC4=C(C3=O)C=C(C=C4)C)C(=O)CC(C2)C5=CC=CS5)C
InChI=1SC28H27NO5Sc1493328(32)2416(3)29201217(2365103523)1321(30)26(20)25(24)191434228715(2)1118(22)27(19)31h58101114172529H491213H213H3
MFCD03146616
propyl2methyl4(6methyl4oxo4Hchromen3yl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
propyl2methyl4(6methyl4oxochromen3yl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
ZINC000002727149
ZINC000002727152
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