Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 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
STK402792
SMILES CCSCCOC(=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 C29H29NO5S2 MW 535.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29NO5S2/c1-4-36-11-9-34-29(33)25-17(3)30-21-13-18(24-6-5-10-37-24)14-22(31)27(21)26(25)20-15-35-23-8-7-16(2)12-19(23)28(20)32/h5-8,10,12,15,18,26,30H,4,9,11,13-14H2,1-3H3InChIKey
DGVNITGPVSEIEZ-UHFFFAOYSA-NSynonyms
421574-59-62(ethylsulfanyl)ethyl2methyl4(6methyl4oxo4Hchromen3yl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl2methyl4(6methyl4oxochromen3yl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
421574596
CCSCCOC(=O)C1=C(NC2=C(C1C3=COC4=C(C3=O)C=C(C=C4)C)C(=O)CC(C2)C5=CC=CS5)C
InChI=1SC29H29NO5S2c14361193429(33)2517(3)30211318(2465103724)1422(31)27(21)26(25)201535238716(2)1219(23)28(20)32h58101215182630H49111314H213H3
MFCD02868503
ZINC000097939634
ZINC000097939637
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