Vitas-M small molecule compound

ethyl 4-{4-methoxy-3-[(pentafluorophenoxy)methyl]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK316000
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)COc1c(F)c(F)c(c(c1F)F)F)OC)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 C29H28F5NO5 MW 565.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28F5NO5/c1-6-39-28(37)19-13(2)35-16-10-29(3,4)11-17(36)21(16)20(19)14-7-8-18(38-5)15(9-14)12-40-27-25(33)23(31)22(30)24(32)26(27)34/h7-9,20,35H,6,10-12H2,1-5H3
InChIKey
QCGPJDJUBULEND-UHFFFAOYSA-N
Synonyms
514816-44-5
514816445
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)COC4=C(C(=C(C(=C4F)F)F)F)F)C(=O)CC(C2)(C)C)C
ethyl4(4methoxy3((23456pentafluorophenoxy)methyl)phenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
ethyl4(4methoxy3((pentafluorophenoxy)methyl)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
InChI=1SC29H28F5NO5c163928(37)1913(2)35161029(34)1117(36)21(16)20(19)147818(385)15(914)12402725(33)23(31)22(30)24(32)26(27)34h792035H61012H215H3
MFCD02175266
ZINC000002114925
ZINC000002114928

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Available files

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