Vitas-M small molecule compound
3-{[4-(2-methylbenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK480209
SMILES O=C(C1C2C=CC(C1C(=O)O)C2)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 C21H26N2O3 MW 354.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O3/c1-14-4-2-3-5-17(14)13-22-8-10-23(11-9-22)20(24)18-15-6-7-16(12-15)19(18)21(25)26/h2-7,15-16,18-19H,8-13H2,1H3,(H,25,26)InChIKey
YELZNOOSBRBUHS-UHFFFAOYSA-NSynonyms
2(4((2METHYLPHENYL)METHYL)PIPERAZINE1CARBONYL)BICYCLO(221)HEPT5ENE3CARBOXYLICACID
3((4((2METHYLPHENYL)METHYL)PIPERAZINYL)CARBONYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
3((4(2methylbenzyl)piperazin1yl)carbonyl)bicyclo(221)hept5ene2carboxylicacid
CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3C4CC(C3C(=O)O)C=C4
InChI=1SC21H26N2O3c114423517(14)132281023(11922)20(24)18156716(1215)19(18)21(25)26h2715161819H813H21H3(H2526)
MFCD06063730
ZINC000101278066
ZINC000239248150
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