Vitas-M small molecule compound

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

Catalog ID
STK088139
SMILES CCOc1cc(cc(c1O)Cl)C1C(=C(C)NC2=C1C(=O)CCC2)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 C27H28ClNO5 MW 481.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClNO5/c1-3-33-22-15-18(14-19(28)26(22)31)24-23(16(2)29-20-10-7-11-21(30)25(20)24)27(32)34-13-12-17-8-5-4-6-9-17/h4-6,8-9,14-15,24,29,31H,3,7,10-13H2,1-2H3
InChIKey
AXOMEISNHXCJDZ-UHFFFAOYSA-N
Synonyms

2phenylethyl4(3chloro5ethoxy4hydroxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl4(3chloro5ethoxy4hydroxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCOC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCCC4=CC=CC=C4)C)Cl)O
CCOc1cc(cc(c1O)Cl)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCCc1ccccc1
InChI=1SC27H28ClNO5c1333221518(1419(28)26(22)31)2423(16(2)29201071121(30)25(20)24)27(32)341312178546917h46891415242931H371013H212H3
MFCD02105253
STK088139
ZINC000008437189
ZINC000008437192

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Available files

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