Vitas-M small molecule compound
ethyl 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
STK402748
SMILES CCOC(=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 C26H23NO5S MW 461.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23NO5S/c1-3-31-26(30)22-14(2)27-18-11-15(21-9-6-10-33-21)12-19(28)24(18)23(22)17-13-32-20-8-5-4-7-16(20)25(17)29/h4-10,13,15,23,27H,3,11-12H2,1-2H3InChIKey
BSWUDWZNHPCJCI-UHFFFAOYSA-NSynonyms
421574-11-0421574110
CCOC(=O)C1=C(NC2=C(C1C3=COC4=CC=CC=C4C3=O)C(=O)CC(C2)C5=CC=CS5)C
ethyl2methyl5oxo4(4oxo4Hchromen3yl)7(thiophen2yl)145678hexahydroquinoline3carboxylate
ethyl2methyl5oxo4(4oxochromen3yl)7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC26H23NO5Sc133126(30)2214(2)27181115(2196103321)1219(28)24(18)23(22)17133220854716(20)25(17)29h41013152327H31112H212H3
MFCD02868447
ZINC000000717509
ZINC000000717512
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