Vitas-M small molecule compound
3-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)bicyclo[2.2.2]octane-2-carboxylic acid
Catalog ID
STK466731
SMILES O=C(C1C2CCC(C1C(=O)O)CC2)N1CCN(CC1)c1cccc(c1)C(F)(F)F
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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 C21H25F3N2O3 MW 410.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25F3N2O3/c22-21(23,24)15-2-1-3-16(12-15)25-8-10-26(11-9-25)19(27)17-13-4-6-14(7-5-13)18(17)20(28)29/h1-3,12-14,17-18H,4-11H2,(H,28,29)InChIKey
REZKBKSKZSIOGA-UHFFFAOYSA-NSynonyms
2(4(3(trifluoromethyl)phenyl)piperazine1carbonyl)bicyclo(222)octane3carboxylicacid
3((4(3(trifluoromethyl)phenyl)piperazin1yl)carbonyl)bicyclo(222)octane2carboxylicacid
3((4(3(TRIFLUOROMETHYL)PHENYL)PIPERAZINYL)CARBONYL)BICYCLO(222)OCTANE2CARBOXYLICACID
C1CC2CCC1C(C2C(=O)O)C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
InChI=1SC21H25F3N2O3c2221(2324)1521316(1215)2581026(11925)19(27)17134614(7513)18(17)20(28)29h1312141718H411H2(H2829)
MFCD06065862
ZINC000017088455
ZINC000017088458
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