Vitas-M small molecule compound
3-{[4-(3-chlorophenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Catalog ID
STK483019
SMILES OC(=O)C1C2CCC(C1C(=O)N1CCN(CC1)c1cccc(c1)Cl)C=C2
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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 C20H23ClN2O3 MW 374.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23ClN2O3/c21-15-2-1-3-16(12-15)22-8-10-23(11-9-22)19(24)17-13-4-6-14(7-5-13)18(17)20(25)26/h1-4,6,12-14,17-18H,5,7-11H2,(H,25,26)InChIKey
DZUJQBDSCVJZSY-UHFFFAOYSA-NSynonyms
2(4(3chlorophenyl)piperazine1carbonyl)bicyclo(222)oct5ene3carboxylicacid
3((4(3chlorophenyl)piperazin1yl)carbonyl)bicyclo(222)oct5ene2carboxylicacid
3((4(3CHLOROPHENYL)PIPERAZINYL)CARBONYL)BICYCLO(222)OCT5ENE2CARBOXYLICACID
C1CC2C=CC1C(C2C(=O)O)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl
InChI=1SC20H23ClN2O3c211521316(1215)2281023(11922)19(24)17134614(7513)18(17)20(25)26h14612141718H5711H2(H2526)
MFCD06065913
ZINC000102366361
ZINC000239038831
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