Vitas-M small molecule compound
benzyl 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
STK402970
SMILES O=C(C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)C(=O)CC(C2)c1cccs1)OCc1ccccc1
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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 C31H25NO5S MW 523.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25NO5S/c1-18-27(31(35)37-16-19-8-3-2-4-9-19)28(22-17-36-25-11-6-5-10-21(25)30(22)34)29-23(32-18)14-20(15-24(29)33)26-12-7-13-38-26/h2-13,17,20,28,32H,14-16H2,1H3InChIKey
DQLVSROYLVBNAO-UHFFFAOYSA-NSynonyms
benzyl2methyl5oxo4(4oxo4Hchromen3yl)7(thiophen2yl)145678hexahydroquinoline3carboxylate
benzyl2methyl5oxo4(4oxochromen3yl)7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=COC5=CC=CC=C5C4=O)C(=O)OCC6=CC=CC=C6
InChI=1SC31H25NO5Sc11827(31(35)3716198324919)28(2217362511651021(25)30(22)34)2923(3218)1420(1524(29)33)26127133826h21317202832H1416H21H3
MFCD03370996
ZINC000001438572
ZINC000001438575
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