Vitas-M small molecule compound
4-[4-(hydroxymethyl)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl]benzoic acid
Catalog ID
STL388181
SMILES OCC12C=CC(O1)C1C2C(=O)N(C1=O)c1ccc(cc1)C(=O)O
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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 C16H13NO6 MW 315.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13NO6/c18-7-16-6-5-10(23-16)11-12(16)14(20)17(13(11)19)9-3-1-8(2-4-9)15(21)22/h1-6,10-12,18H,7H2,(H,21,22)InChIKey
QEFAKEKZWPNTQW-UHFFFAOYSA-NSynonyms
4(4(hydroxymethyl)13dioxo133a477ahexahydro2H47epoxyisoindol2yl)benzoicacid
4(7(hydroxymethyl)13dioxo47adihydro3aHoctahydro1H47epoxyisoindol2yl)benzoicacid
C1=CC2(C3C(C1O2)C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O)CO
InChI=1SC16H13NO6c187166510(2316)1112(16)14(20)17(13(11)19)9318(249)15(21)22h16101218H7H2(H2122)
MFCD01470822
ZINC000101194295
ZINC000239386728
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