Vitas-M small molecule compound

pentacyclo[4.2.0.0~2,5~.0~3,8~.0~4,7~]octane-1,4-dicarboxylic acid

Catalog ID
STK529460
SMILES OC(=O)C12C3C4C2C2C1C3C42C(=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 C10H8O4 MW 192.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H8O4/c11-7(12)9-1-2-4(9)6-5(9)3(1)10(2,6)8(13)14/h1-6H,(H,11,12)(H,13,14)
InChIKey
JFKXMJUMOJJTCQ-UHFFFAOYSA-N
Synonyms
32846-66-5
(1r2R3r8S)cubane14dicarboxylicacid
14CUBANEDICARBOXYLICACID
32846665
C12C3C4C1(C5C2C3(C45)C(=O)O)C(=O)O
CUBANE14DICARBOXYLICACID
CUBANE18DICARBOXYLICACID
InChI=1SC10H8O4c117(12)9124(9)65(9)3(1)10(26)8(13)14h16H(H1112)(H1314)
MFCD08458496
pentacyclo(4200~25~0~38~0~47~)octane14dicarboxylicacid
ZINC000000272045
ZINC272045

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.