Vitas-M small molecule compound

tetrahydrofuran-2-ylmethyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK001665
SMILES CCOc1cc(ccc1OC(=O)C)C1C(=C(C)NC2=C1C(=O)CCC2)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 C26H31NO7 MW 469.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO7/c1-4-31-22-13-17(10-11-21(22)34-16(3)28)24-23(26(30)33-14-18-7-6-12-32-18)15(2)27-19-8-5-9-20(29)25(19)24/h10-11,13,18,24,27H,4-9,12,14H2,1-3H3
InChIKey
ZPMCYQPDXGRAFB-UHFFFAOYSA-N
Synonyms

CCOC1=C(C=CC(=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCC4CCCO4)C)OC(=O)C
CCOc1cc(ccc1OC(=O)C)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCC1CCCO1
InChI=1SC26H31NO7c1431221317(101121(22)3416(3)28)2423(26(30)33141876123218)15(2)271985920(29)25(19)24h101113182427H491214H213H3
MFCD01571465
oxolan2ylmethyl4(4acetyloxy3ethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK001665
tetrahydrofuran2ylmethyl4(4(acetyloxy)3ethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ZINC000005225798
ZINC000005225812

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Available files

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