Vitas-M small molecule compound
3-{[4-(4-acetylphenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Catalog ID
STK465403
SMILES O=C(C1C2CCC(C1C(=O)O)C=C2)N1CCN(CC1)c1ccc(cc1)C(=O)C
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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 C22H26N2O4 MW 382.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O4/c1-14(25)15-6-8-18(9-7-15)23-10-12-24(13-11-23)21(26)19-16-2-4-17(5-3-16)20(19)22(27)28/h2,4,6-9,16-17,19-20H,3,5,10-13H2,1H3,(H,27,28)InChIKey
XZTIKHSQHSFZRB-UHFFFAOYSA-NSynonyms
2(4(4acetylphenyl)piperazine1carbonyl)bicyclo(222)oct5ene3carboxylicacid
3((4(4acetylphenyl)piperazin1yl)carbonyl)bicyclo(222)oct5ene2carboxylicacid
3((4(4ACETYLPHENYL)PIPERAZINYL)CARBONYL)BICYCLO(222)OCT5ENE2CARBOXYLICACID
CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3C4CCC(C3C(=O)O)C=C4
InChI=1SC22H26N2O4c114(25)156818(9715)23101224(131123)21(26)19162417(5316)20(19)22(27)28h246916171920H351013H21H3(H2728)
MFCD06066570
ZINC000102326487
ZINC000239248080
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