Vitas-M small molecule compound

tetrahydrofuran-2-ylmethyl 4-(3-bromophenyl)-7-(furan-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK406075
SMILES Brc1cccc(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccco1)C(=O)OCC1CCCO1

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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 C26H26BrNO5 MW 512.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26BrNO5/c1-15-23(26(30)33-14-19-7-3-9-31-19)24(16-5-2-6-18(27)11-16)25-20(28-15)12-17(13-21(25)29)22-8-4-10-32-22/h2,4-6,8,10-11,17,19,24,28H,3,7,9,12-14H2,1H3
InChIKey
ZWACNLIJRQNJHX-UHFFFAOYSA-N
Synonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CO3)C4=CC(=CC=C4)Br)C(=O)OCC5CCCO5
oxolan2ylmethyl4(3bromophenyl)7(furan2yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl4(3bromophenyl)7(furan2yl)2methyl5oxo145678hexahydroquinoline3carboxylate
Registry IDs
MFCD04216355
ZINC000020324268
ZINC000035913050

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.