Vitas-M small molecule compound
6-{[4-(4-fluorobenzyl)piperazin-1-yl]carbonyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Catalog ID
STK478950
SMILES Fc1ccc(cc1)CN1CCN(CC1)C(=O)C1CC(=C(CC1C(=O)O)C)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 C21H27FN2O3 MW 374.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27FN2O3/c1-14-11-18(19(21(26)27)12-15(14)2)20(25)24-9-7-23(8-10-24)13-16-3-5-17(22)6-4-16/h3-6,18-19H,7-13H2,1-2H3,(H,26,27)InChIKey
BIWKGQZHLMGLGB-UHFFFAOYSA-NSynonyms
6((4(4fluorobenzyl)piperazin1yl)carbonyl)34dimethylcyclohex3ene1carboxylicacid
6(4((4FLUOROPHENYL)METHYL)PIPERAZINE1CARBONYL)34DIMETHYLCYCLOHEX3ENE1CARBOXYLICACID
CC1=C(CC(C(C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)F)C(=O)O)C
InChI=1SC21H27FN2O3c1141118(19(21(26)27)1215(14)2)20(25)249723(81024)13163517(22)6416h361819H713H212H3(H2627)
MFCD06063659
ZINC000006699447
ZINC000006699450
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