Vitas-M small molecule compound
2-methoxyethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK048798
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OCC)O)C(=O)CC(C2)c1ccc(cc1)Cl
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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 C28H29BrClNO6 MW 590.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29BrClNO6/c1-4-36-23-14-18(11-20(29)27(23)33)25-24(28(34)37-10-9-35-3)15(2)31-21-12-17(13-22(32)26(21)25)16-5-7-19(30)8-6-16/h5-8,11,14,17,25,31,33H,4,9-10,12-13H2,1-3H3InChIKey
SEDHYIFVHXUKLC-UHFFFAOYSA-NSynonyms
2methoxyethyl4(3bromo5ethoxy4hydroxyphenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2methoxyethyl4(3bromo5ethoxy4hydroxyphenyl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC(=C2C(=O)OCCOC)C)Br)O
COCCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OCC)O)C(=O)CC(C2)c1ccc(cc1)Cl
InChI=1SC28H29BrClNO6c1436231418(1120(29)27(23)33)2524(28(34)37109353)15(2)31211217(1322(32)26(21)25)165719(30)8616h58111417253133H49101213H213H3
MFCD01445681
STK048798
ZINC000008440114
ZINC000008440119
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