Vitas-M small molecule compound
methyl 7-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK376643
SMILES CCCOc1ccccc1C1C2=C(CC(CC2=O)c2ccc3c(c2)OCO3)NC(=C1C(=O)OC)C
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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/c1-4-11-33-22-8-6-5-7-19(22)26-25(28(31)32-3)16(2)29-20-12-18(13-21(30)27(20)26)17-9-10-23-24(14-17)35-15-34-23/h5-10,14,18,26,29H,4,11-13,15H2,1-3H3InChIKey
GPQSGGHMXPFCSR-UHFFFAOYSA-NSynonyms
CCCOC1=CC=CC=C1C2C3=C(CC(CC3=O)C4=CC5=C(C=C4)OCO5)NC(=C2C(=O)OC)C
InChI=1SC28H29NO6c14113322865719(22)2625(28(31)323)16(2)29201218(1321(30)27(20)26)179102324(1417)35153423h51014182629H4111315H213H3
methyl7(13benzodioxol5yl)2methyl5oxo4(2propoxyphenyl)145678hexahydroquinoline3carboxylate
methyl7(13benzodioxol5yl)2methyl5oxo4(2propoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
MFCD01193781
ZINC000004067193
ZINC000004067196
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