Vitas-M small molecule compound

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

Catalog ID
STK046390
SMILES OC(=O)c1cc(cc(c1)C(=O)O)N1C(=O)C2C(C1=O)C1CC2C=C1

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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 C17H13NO6 MW 327.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13NO6/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/h1-2,4-8,12-13H,3H2,(H,21,22)(H,23,24)
InChIKey
JOQBGFKVMFUNCX-UHFFFAOYSA-N
Synonyms

5((3aR4R7S7aS)13dioxo3a477atetrahydro1H47methanoisoindol2(3H)yl)isophthalicacid
5(13DIOXO133A477AHEXAHYDRO2H47METHANOISOINDOL2YL)BENZENE13DICARBOXYLICACID
C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC(=CC(=C4)C(=O)O)C(=O)O
InChI=1SC17H13NO6c1914127128(37)13(12)15(20)18(14)1159(16(21)22)410(611)17(23)24h12481213H3H2(H2122)(H2324)
MFCD00385432
OC(=O)c1cc(cc(c1)C(=O)O)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)1C(C@H)2C=C1
OC(=O)c1cc(cc(c1)C(=O)O)N1C(=O)C2C(C1=O)C1CC2C=C1
STK046390
ZINC000100308629
ZINC000101102379

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Available files

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