Vitas-M small molecule compound

butyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK047607
SMILES CCCCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OC)O)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 C24H30BrNO5 MW 492.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30BrNO5/c1-6-7-8-31-23(29)19-13(2)26-16-11-24(3,4)12-17(27)21(16)20(19)14-9-15(25)22(28)18(10-14)30-5/h9-10,20,26,28H,6-8,11-12H2,1-5H3
InChIKey
FIFXTWPTQRXQQP-UHFFFAOYSA-N
Synonyms

butyl4(3bromo4hydroxy5methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
butyl4(3bromo4hydroxy5methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCCCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OC)O)C(=O)CC(C2)(C)C
CCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)Br)O)OC)C(=O)CC(C2)(C)C)C
InChI=1SC24H30BrNO5c16783123(29)1913(2)26161124(34)1217(27)21(16)20(19)14915(25)22(28)18(1014)305h910202628H681112H215H3
MFCD00753329
STK047607
ZINC000002796105
ZINC000002796106

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Available files

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