Vitas-M small molecule compound

2-(4-methoxybenzyl)-3-(2-methylprop-2-en-1-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid

Catalog ID
STK686042
SMILES COc1ccc(cc1)CN1C(=O)C2C3(C1CC(=C)C)C=CC(C2C(=O)O)O3

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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 C21H23NO5 MW 369.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO5/c1-12(2)10-16-21-9-8-15(27-21)17(20(24)25)18(21)19(23)22(16)11-13-4-6-14(26-3)7-5-13/h4-9,15-18H,1,10-11H2,2-3H3,(H,24,25)
InChIKey
CYOKHXZXJDYXLW-UHFFFAOYSA-N
Synonyms
2(4methoxybenzyl)3(2methylprop2en1yl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylicacid
CC(=C)CC1C23C=CC(O2)C(C3C(=O)N1CC4=CC=C(C=C4)OC)C(=O)O
Registry IDs
MFCD06014376
ZINC000004720660
ZINC000245254873

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Available files

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