Vitas-M small molecule compound

3-{[4-(3-methoxyphenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid

Catalog ID
STK479392
SMILES COc1cccc(c1)N1CCN(CC1)C(=O)C1C2CCC(C1C(=O)O)CC2

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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 C21H28N2O4 MW 372.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N2O4/c1-27-17-4-2-3-16(13-17)22-9-11-23(12-10-22)20(24)18-14-5-7-15(8-6-14)19(18)21(25)26/h2-4,13-15,18-19H,5-12H2,1H3,(H,25,26)
InChIKey
MGQWSMJSGIBNMU-UHFFFAOYSA-N
Synonyms

2(4(3METHOXYPHENYL)PIPERAZINE1CARBONYL)BICYCLO(222)OCTANE3CARBOXYLICACID
3((4(3methoxyphenyl)piperazin1yl)carbonyl)bicyclo(222)octane2carboxylicacid
3((4(3METHOXYPHENYL)PIPERAZINYL)CARBONYL)BICYCLO(222)OCTANE2CARBOXYLICACID
COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3C4CCC(C3C(=O)O)CC4
InChI=1SC21H28N2O4c1271742316(1317)2291123(121022)20(24)18145715(8614)19(18)21(25)26h2413151819H512H21H3(H2526)
MFCD06066052
ZINC000006714081
ZINC000006714093

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Available files

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