Vitas-M small molecule compound

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

Catalog ID
STK406129
SMILES CCCCOc1ccccc1C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccco1)C(=O)OC

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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 C26H29NO5 MW 435.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29NO5/c1-4-5-12-32-22-10-7-6-9-18(22)24-23(26(29)30-3)16(2)27-19-14-17(15-20(28)25(19)24)21-11-8-13-31-21/h6-11,13,17,24,27H,4-5,12,14-15H2,1-3H3
InChIKey
HEOHSFLIAGVTKL-UHFFFAOYSA-N
Synonyms

CCCCOC1=CC=CC=C1C2C3=C(CC(CC3=O)C4=CC=CO4)NC(=C2C(=O)OC)C
InChI=1SC26H29NO5c1451232221076918(22)2423(26(29)303)16(2)27191417(1520(28)25(19)24)21118133121h61113172427H45121415H213H3
methyl4(2butoxyphenyl)7(furan2yl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(2butoxyphenyl)7(furan2yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD05986731
ZINC000016293862
ZINC000016293867

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Available files

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