Vitas-M small molecule compound
ethyl 4-[4-(acetyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK062222
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OC(=O)C)C(=O)CC(C2)c1ccccc1
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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 C28H29NO6 MW 475.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO6/c1-5-34-28(32)25-16(2)29-21-13-20(18-9-7-6-8-10-18)14-22(31)27(21)26(25)19-11-12-23(35-17(3)30)24(15-19)33-4/h6-12,15,20,26,29H,5,13-14H2,1-4H3InChIKey
JETRVMCEHPSUHM-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OC(=O)C)C(=O)CC(C2)c1ccccc1
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC(=O)C)OC)C(=O)CC(C2)C4=CC=CC=C4)C
ethyl4(4(acetyloxy)3methoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
ethyl4(4acetyloxy3methoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC28H29NO6c153428(32)2516(2)29211320(1897681018)1422(31)27(21)26(25)19111223(3517(3)30)24(1519)334h61215202629H51314H214H3
MFCD01571733
STK062222
ZINC000000708044
ZINC000000708047
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