Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 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
STK402789
SMILES O=C(C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)C(=O)CC(C2)c1cccs1)OCC1CCCO1
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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 C29H27NO6S MW 517.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27NO6S/c1-16-25(29(33)36-14-18-6-4-10-34-18)26(20-15-35-23-8-3-2-7-19(23)28(20)32)27-21(30-16)12-17(13-22(27)31)24-9-5-11-37-24/h2-3,5,7-9,11,15,17-18,26,30H,4,6,10,12-14H2,1H3InChIKey
FOBDPEAPKRAGLX-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=COC5=CC=CC=C5C4=O)C(=O)OCC6CCCO6
InChI=1SC29H27NO6Sc11625(29(33)36141864103418)26(20153523832719(23)28(20)32)2721(3016)1217(1322(27)31)2495113724h23579111517182630H46101214H21H3
MFCD02868499
oxolan2ylmethyl2methyl5oxo4(4oxochromen3yl)7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl2methyl5oxo4(4oxo4Hchromen3yl)7(thiophen2yl)145678hexahydroquinoline3carboxylate
ZINC000019955117
ZINC000035830484
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