Vitas-M small molecule compound
2-ethoxyethyl 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
STK088471
SMILES CCOCCOC(=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 C29H29NO6S MW 519.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29NO6S/c1-4-34-9-10-35-29(33)25-17(3)30-21-13-18(24-6-5-11-37-24)14-22(31)27(21)26(25)20-15-36-23-8-7-16(2)12-19(23)28(20)32/h5-8,11-12,15,18,26,30H,4,9-10,13-14H2,1-3H3InChIKey
MJQRJTLMGGYIQK-UHFFFAOYSA-NSynonyms
2ethoxyethyl2methyl4(6methyl4oxo4Hchromen3yl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2ethoxyethyl2methyl4(6methyl4oxochromen3yl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CCOCCOC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cc(cc3)C)C(=O)CC(C2)c1cccs1
CCOCCOC(=O)C1=C(NC2=C(C1C3=COC4=C(C3=O)C=C(C=C4)C)C(=O)CC(C2)C5=CC=CS5)C
InChI=1SC29H29NO6Sc14349103529(33)2517(3)30211318(2465113724)1422(31)27(21)26(25)201536238716(2)1219(23)28(20)32h58111215182630H49101314H213H3
MFCD02868521
STK088471
ZINC000020158570
ZINC000020158582
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