Vitas-M small molecule compound

ethyl 4-{4-[(4-bromophenoxy)methyl]-5-methylthiophen-2-yl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK955802
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1sc(c(c1)COc1ccc(cc1)Br)C)C(=O)CCC2

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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 C25H26BrNO4S MW 516.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26BrNO4S/c1-4-30-25(29)22-14(2)27-19-6-5-7-20(28)23(19)24(22)21-12-16(15(3)32-21)13-31-18-10-8-17(26)9-11-18/h8-12,24,27H,4-7,13H2,1-3H3
InChIKey
QRZJTKMPSSMHMG-UHFFFAOYSA-N
Synonyms
438613-30-0
438613300
CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(S3)C)COC4=CC=C(C=C4)Br)C(=O)CCC2)C
ethyl4(4((4bromophenoxy)methyl)5methylthiophen2yl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(4((4bromophenoxy)methyl)5methylthiophen2yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC25H26BrNO4Sc143025(29)2214(2)271965720(28)23(19)24(22)211216(15(3)3221)13311810817(26)91118h8122427H4713H213H3
MFCD02604754
ZINC000002726936
ZINC000002726937

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Available files

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