Vitas-M small molecule compound

2-methylpropyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK363577
SMILES CC(COC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1ccccc1)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 C28H29NO5 MW 459.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO5/c1-16(2)14-32-28(31)25-17(3)29-21-11-20(18-7-5-4-6-8-18)12-22(30)27(21)26(25)19-9-10-23-24(13-19)34-15-33-23/h4-10,13,16,20,26,29H,11-12,14-15H2,1-3H3
InChIKey
ZKLCXQIXWRJBCH-UHFFFAOYSA-N
Synonyms
329072-22-2
2methylpropyl4(13benzodioxol5yl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
2methylpropyl4(13benzodioxol5yl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
329072222
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C(=O)OCC(C)C
InChI=1SC28H29NO5c116(2)143228(31)2517(3)29211120(187546818)1222(30)27(21)26(25)199102324(1319)34153323h4101316202629H11121415H213H3
MFCD01445651
ZINC000000666787
ZINC000004624812

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Available files

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