Vitas-M small molecule compound
3-{[4-(2-methylbenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid
Catalog ID
STK479384
SMILES O=C(C1C2CCC(C1C(=O)O)CC2)N1CCN(CC1)Cc1ccccc1C
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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 C22H30N2O3 MW 370.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N2O3/c1-15-4-2-3-5-18(15)14-23-10-12-24(13-11-23)21(25)19-16-6-8-17(9-7-16)20(19)22(26)27/h2-5,16-17,19-20H,6-14H2,1H3,(H,26,27)InChIKey
PMDQKGUKRVSLDM-UHFFFAOYSA-NSynonyms
2(4((2METHYLPHENYL)METHYL)PIPERAZINE1CARBONYL)BICYCLO(222)OCTANE3CARBOXYLICACID
3((4((2METHYLPHENYL)METHYL)PIPERAZINYL)CARBONYL)BICYCLO(222)OCTANE2CARBOXYLICACID
3((4(2methylbenzyl)piperazin1yl)carbonyl)bicyclo(222)octane2carboxylicacid
CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3C4CCC(C3C(=O)O)CC4
InChI=1SC22H30N2O3c115423518(15)1423101224(131123)21(25)19166817(9716)20(19)22(26)27h2516171920H614H21H3(H2627)
MFCD06063715
ZINC000006742234
ZINC000006742237
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