Vitas-M small molecule compound
2-ethoxyethyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK026738
SMILES CCOCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OCC)OC(=O)C)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 C31H34ClNO7 MW 568.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34ClNO7/c1-5-37-13-14-39-31(36)28-18(3)33-24-15-22(20-7-10-23(32)11-8-20)16-25(35)30(24)29(28)21-9-12-26(40-19(4)34)27(17-21)38-6-2/h7-12,17,22,29,33H,5-6,13-16H2,1-4H3InChIKey
BRWMYAQOLLRRQX-UHFFFAOYSA-NSynonyms
2ethoxyethyl4(4(acetyloxy)3ethoxyphenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethoxyethyl4(4acetyloxy3ethoxyphenyl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCOCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OCC)OC(=O)C)C(=O)CC(C2)c1ccc(cc1)Cl
CCOCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC(=O)C)OCC)C(=O)CC(C2)C4=CC=C(C=C4)Cl)C
InChI=1SC31H34ClNO7c153713143931(36)2818(3)33241522(2071023(32)11820)1625(35)30(24)29(28)2191226(4019(4)34)27(1721)3862h71217222933H561316H214H3
MFCD02632914
STK026738
ZINC000100554136
ZINC000100554144
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