Vitas-M small molecule compound
3-[4-(hydroxymethyl)-7-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl]benzoic acid
Catalog ID
STL388137
SMILES OCC12C=CC(O1)(C1C2C(=O)N(C1=O)c1cccc(c1)C(=O)O)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 C17H15NO6 MW 329.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15NO6/c1-16-5-6-17(8-19,24-16)12-11(16)13(20)18(14(12)21)10-4-2-3-9(7-10)15(22)23/h2-7,11-12,19H,8H2,1H3,(H,22,23)InChIKey
RWLKHUJYMLMSPT-UHFFFAOYSA-NSynonyms
3(4(hydroxymethyl)7methyl13dioxo133a477ahexahydro2H47epoxyisoindol2yl)benzoicacid
3(4(hydroxymethyl)7methyl13dioxo3a7adihydrooctahydro1H47epoxyisoindol2yl)benzoicacid
CC12C=CC(O1)(C3C2C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)O)CO
InChI=1SC17H15NO6c1165617(8192416)1211(16)13(20)18(14(12)21)104239(710)15(22)23h27111219H8H21H3(H2223)
MFCD02942157
ZINC000005747935
ZINC000245226911
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