Vitas-M small molecule compound
methyl 4-(3-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK067787
SMILES COc1ccc(cc1)C1CC2=C(C(=O)C1)C(C(=C(N2)C)C(=O)OC)c1cccc(c1)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 C26H27NO5 MW 433.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO5/c1-15-23(26(29)32-4)24(17-6-5-7-20(12-17)31-3)25-21(27-15)13-18(14-22(25)28)16-8-10-19(30-2)11-9-16/h5-12,18,24,27H,13-14H2,1-4H3InChIKey
MNAXFJBFQRHXEA-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC(=CC=C4)OC)C(=O)OC
COc1ccc(cc1)C1CC2=C(C(=O)C1)C(C(=C(N2)C)C(=O)OC)c1cccc(c1)OC
InChI=1SC26H27NO5c11523(26(29)324)24(1765720(1217)313)2521(2715)1318(1422(25)28)1681019(302)11916h512182427H1314H214H3
methyl4(3methoxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(3methoxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD01445617
STK067787
ZINC000000847625
ZINC000000847628
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