Vitas-M small molecule compound

5-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzene-1,3-dicarboxylic acid

Catalog ID
STK268947
SMILES O=C1N(c2cc(cc(c2)C(=O)O)C(=O)O)C(=O)C2C1C1CCC2C1

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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/c19-14-12-7-1-2-8(3-7)13(12)15(20)18(14)11-5-9(16(21)22)4-10(6-11)17(23)24/h4-8,12-13H,1-3H2,(H,21,22)(H,23,24)
InChIKey
CUTRFYDWLHUNDC-UHFFFAOYSA-N
Synonyms

5((3AR4R7S7AS)13DIOXOOCTAHYDRO2H47METHANOISOINDOL2YL)BENZENE13DICARBOXYLICACID
5((3aR4S7R7aS)13dioxohexahydro1H47methanoisoindol2(3H)yl)isophthalicacid
5((3AR4S7R7AS)13DIOXOOCTAHYDRO2H47METHANOISOINDOL2YL)BENZENE13DICARBOXYLICACID
5(13dioxooctahydro2H47methanoisoindol2yl)benzene13dicarboxylicacid
C1CC2CC1C3C2C(=O)N(C3=O)C4=CC(=CC(=C4)C(=O)O)C(=O)O
InChI=1SC17H15NO6c1914127128(37)13(12)15(20)18(14)1159(16(21)22)410(611)17(23)24h481213H13H2(H2122)(H2324)
MFCD01623369
O=C1N(c2cc(cc(c2)C(=O)O)C(=O)O)C(=O)(C@@H)2(C@H)1(C@H)1CC(C@@H)2C1
ZINC000100626219
ZINC000239287444

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Available files

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