Vitas-M small molecule compound
3-{[4-(2-chlorobenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Catalog ID
STK474527
SMILES O=C(C1C2CCC(C1C(=O)O)C=C2)N1CCN(CC1)Cc1ccccc1Cl
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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 C21H25ClN2O3 MW 388.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25ClN2O3/c22-17-4-2-1-3-16(17)13-23-9-11-24(12-10-23)20(25)18-14-5-7-15(8-6-14)19(18)21(26)27/h1-5,7,14-15,18-19H,6,8-13H2,(H,26,27)InChIKey
FNLIBPLMOWCQBZ-UHFFFAOYSA-NSynonyms
2(4((2chlorophenyl)methyl)piperazine1carbonyl)bicyclo(222)oct5ene3carboxylicacid
3((4((2CHLOROPHENYL)METHYL)PIPERAZINYL)CARBONYL)BICYCLO(222)OCT5ENE2CARBOXYLICACID
3((4(2chlorobenzyl)piperazin1yl)carbonyl)bicyclo(222)oct5ene2carboxylicacid
C1CC2C=CC1C(C2C(=O)O)C(=O)N3CCN(CC3)CC4=CC=CC=C4Cl
InChI=1SC21H25ClN2O3c2217421316(17)132391124(121023)20(25)18145715(8614)19(18)21(26)27h15714151819H6813H2(H2627)
MFCD06063532
ZINC000102351948
ZINC000239046319
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