Vitas-M small molecule compound
3-{[4-(3-chloro-4-fluorobenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK494988
SMILES OC(=O)C1C2CCC(C1C(=O)N1CCN(CC1)Cc1ccc(c(c1)Cl)F)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 C20H24ClFN2O3 MW 394.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24ClFN2O3/c21-15-9-12(1-4-16(15)22)11-23-5-7-24(8-6-23)19(25)17-13-2-3-14(10-13)18(17)20(26)27/h1,4,9,13-14,17-18H,2-3,5-8,10-11H2,(H,26,27)InChIKey
IPNCPTBPSQGIRF-UHFFFAOYSA-NSynonyms
2(4((3chloro4fluorophenyl)methyl)piperazine1carbonyl)bicyclo(221)heptane3carboxylicacid
3((4((3CHLORO4FLUOROPHENYL)METHYL)PIPERAZINYL)CARBONYL)BICYCLO(221)HEPTANE2CARBOXYLICACID
3((4(3chloro4fluorobenzyl)piperazin1yl)carbonyl)bicyclo(221)heptane2carboxylicacid
C1CC2CC1C(C2C(=O)O)C(=O)N3CCN(CC3)CC4=CC(=C(C=C4)F)Cl
InChI=1SC20H24ClFN2O3c2115912(1416(15)22)11235724(8623)19(25)17132314(1013)18(17)20(26)27h14913141718H23581011H2(H2627)
MFCD06063727
ZINC000102382415
ZINC000245326017
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