Vitas-M small molecule compound

ethyl 4-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STL173088
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCc1ccc(cc1)F)C(=O)CC(C2)(C)C

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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 C29H32FNO5 MW 493.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32FNO5/c1-6-35-28(33)25-17(2)31-21-14-29(3,4)15-22(32)27(21)26(25)19-9-12-23(24(13-19)34-5)36-16-18-7-10-20(30)11-8-18/h7-13,26,31H,6,14-16H2,1-5H3
InChIKey
WQOBWRSZOWXOIK-UHFFFAOYSA-N
Synonyms
397875-19-3
397875193
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OCC4=CC=C(C=C4)F)OC)C(=O)CC(C2)(C)C)C
ethyl4(4((4fluorobenzyl)oxy)3methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(4((4fluorophenyl)methoxy)3methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC29H32FNO5c163528(33)2517(2)31211429(34)1522(32)27(21)26(25)1991223(24(1319)345)36161871020(30)11818h7132631H61416H215H3
MFCD02175275
ZINC000000673677
ZINC000000673681

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Available files

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