Vitas-M small molecule compound

2-phenylethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK051752
SMILES CCOc1cc(cc(c1O)Br)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OCCc1ccccc1

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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 C33H32BrNO5 MW 602.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32BrNO5/c1-3-39-28-19-24(16-25(34)32(28)37)30-29(33(38)40-15-14-21-10-6-4-7-11-21)20(2)35-26-17-23(18-27(36)31(26)30)22-12-8-5-9-13-22/h4-13,16,19,23,30,35,37H,3,14-15,17-18H2,1-2H3
InChIKey
BYWFUOMQBBBQDB-UHFFFAOYSA-N
Synonyms

2phenylethyl4(3bromo5ethoxy4hydroxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
2phenylethyl4(3bromo5ethoxy4hydroxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC(=C2C(=O)OCCC5=CC=CC=C5)C)Br)O
CCOc1cc(cc(c1O)Br)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OCCc1ccccc1
InChI=1SC33H32BrNO5c1339281924(1625(34)32(28)37)3029(33(38)40151421106471121)20(2)35261723(1827(36)31(26)30)22128591322h413161923303537H314151718H212H3
MFCD01590164
STK051752
ZINC000100564876
ZINC000100564885

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Available files

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