Vitas-M small molecule compound

ethyl 4-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK032964
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1OC)OC)C(=O)CC(C2)c1ccccc1

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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 C27H29NO5 MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO5/c1-5-33-27(30)24-16(2)28-21-13-18(17-9-7-6-8-10-17)14-22(29)26(21)25(24)20-12-11-19(31-3)15-23(20)32-4/h6-12,15,18,25,28H,5,13-14H2,1-4H3
InChIKey
RCTHLRDVYRJYCO-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1OC)OC)C(=O)CC(C2)c1ccccc1
CCOC(=O)C1=C(NC2=C(C1C3=C(C=C(C=C3)OC)OC)C(=O)CC(C2)C4=CC=CC=C4)C
ethyl4(24dimethoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
ethyl4(24dimethoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC27H29NO5c153327(30)2416(2)28211318(1797681017)1422(29)26(21)25(24)20121119(313)1523(20)324h61215182528H51314H214H3
MFCD00614948
STK032964
ZINC000001201544
ZINC000001201554

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Available files

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