Vitas-M small molecule compound
propyl 2-methyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402969
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)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 C27H25NO5S MW 475.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO5S/c1-3-10-32-27(31)23-15(2)28-19-12-16(22-9-6-11-34-22)13-20(29)25(19)24(23)18-14-33-21-8-5-4-7-17(21)26(18)30/h4-9,11,14,16,24,28H,3,10,12-13H2,1-2H3InChIKey
QWLYVLAVQBSMRL-UHFFFAOYSA-NSynonyms
CCCOC(=O)C1=C(NC2=C(C1C3=COC4=CC=CC=C4C3=O)C(=O)CC(C2)C5=CC=CS5)C
InChI=1SC27H25NO5Sc13103227(31)2315(2)28191216(2296113422)1320(29)25(19)24(23)18143321854717(21)26(18)30h491114162428H3101213H212H3
MFCD03370995
propyl2methyl5oxo4(4oxo4Hchromen3yl)7(thiophen2yl)145678hexahydroquinoline3carboxylate
propyl2methyl5oxo4(4oxochromen3yl)7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
ZINC000002772081
ZINC000002772084
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