Vitas-M small molecule compound

3-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl)benzoic acid

Catalog ID
STL387204
SMILES O=C1N(c2cccc(c2)C(=O)O)C(=O)C2C1C1C=CC2(O1)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 C16H13NO5 MW 299.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13NO5/c1-16-6-5-10(22-16)11-12(16)14(19)17(13(11)18)9-4-2-3-8(7-9)15(20)21/h2-7,10-12H,1H3,(H,20,21)
InChIKey
FLJJAJJARNCUPA-UHFFFAOYSA-N
Synonyms

3(4methyl13dioxo133a477ahexahydro2H47epoxyisoindol2yl)benzoicacid
3(7methyl13dioxo47adihydro3aHoctahydro1H47epoxyisoindol2yl)benzoicacid
CC12C=CC(O1)C3C2C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)O
InChI=1SC16H13NO5c1166510(2216)1112(16)14(19)17(13(11)18)94238(79)15(20)21h271012H1H3(H2021)
MFCD00750653
ZINC000000029106
ZINC000239302590

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Available files

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