Vitas-M small molecule compound

ethyl 4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK402867
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C(=O)OC)C(=O)CC(C2)c1cccs1

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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 C25H25NO5S MW 451.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO5S/c1-4-31-25(29)21-14(2)26-18-12-17(20-6-5-11-32-20)13-19(27)23(18)22(21)15-7-9-16(10-8-15)24(28)30-3/h5-11,17,22,26H,4,12-13H2,1-3H3
InChIKey
FDFIKHYBJZTUDX-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C(=O)OC)C(=O)CC(C2)C4=CC=CS4)C
ethyl4(4(methoxycarbonyl)phenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
ethyl4(4methoxycarbonylphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC25H25NO5Sc143125(29)2114(2)26181217(2065113220)1319(27)23(18)22(21)157916(10815)24(28)303h511172226H41213H213H3
MFCD03370921
ZINC000001434630
ZINC000001434633

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Available files

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