Vitas-M small molecule compound
2-methoxyethyl 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
STK402817
SMILES COCCOC(=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 C28H27NO6S MW 505.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO6S/c1-15-6-7-22-18(11-15)27(31)19(14-35-22)25-24(28(32)34-9-8-33-3)16(2)29-20-12-17(13-21(30)26(20)25)23-5-4-10-36-23/h4-7,10-11,14,17,25,29H,8-9,12-13H2,1-3H3InChIKey
APBREFYEASYCOL-UHFFFAOYSA-NSynonyms
2methoxyethyl2methyl4(6methyl4oxo4Hchromen3yl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2methoxyethyl2methyl4(6methyl4oxochromen3yl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=CC2=C(C=C1)OC=C(C2=O)C3C4=C(CC(CC4=O)C5=CC=CS5)NC(=C3C(=O)OCCOC)C
InChI=1SC28H27NO6Sc115672218(1115)27(31)19(143522)2524(28(32)3498333)16(2)29201217(1321(30)26(20)25)2354103623h47101114172529H891213H213H3
MFCD02868540
ZINC000009985968
ZINC000009985986
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