Vitas-M small molecule compound
methyl 4-(3-methoxy-4-propoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK027042
SMILES CCCOc1ccc(cc1OC)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 C28H31NO5 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO5/c1-5-13-34-23-12-11-19(16-24(23)32-3)26-25(28(31)33-4)17(2)29-21-14-20(15-22(30)27(21)26)18-9-7-6-8-10-18/h6-12,16,20,26,29H,5,13-15H2,1-4H3InChIKey
NHUCYTQLMRBXEA-UHFFFAOYSA-NSynonyms
CCCOC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC(=C2C(=O)OC)C)OC
CCCOc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OC
InChI=1SC28H31NO5c15133423121119(1624(23)323)2625(28(31)334)17(2)29211420(1522(30)27(21)26)1897681018h61216202629H51315H214H3
methyl4(3methoxy4propoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
methyl4(3methoxy4propoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
MFCD00771253
STK027042
ZINC000009113368
ZINC000009113372
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