Vitas-M small molecule compound

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

Catalog ID
STK023204
SMILES CCOc1cc(ccc1OC(=O)C)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)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 C28H29NO6 MW 475.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO6/c1-5-34-24-15-19(11-12-23(24)35-17(3)30)26-25(28(32)33-4)16(2)29-21-13-20(14-22(31)27(21)26)18-9-7-6-8-10-18/h6-12,15,20,26,29H,5,13-14H2,1-4H3
InChIKey
GIMRVEZIARCPLG-UHFFFAOYSA-N
Synonyms

CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC(=C2C(=O)OC)C)OC(=O)C
CCOc1cc(ccc1OC(=O)C)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OC
InChI=1SC28H29NO6c1534241519(111223(24)3517(3)30)2625(28(32)334)16(2)29211320(1422(31)27(21)26)1897681018h61215202629H51314H214H3
methyl4(4(acetyloxy)3ethoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
methyl4(4acetyloxy3ethoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
MFCD01590126
STK023204
ZINC000000853854
ZINC000000853857

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Available files

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