Vitas-M small molecule compound
3-{[4-(4-methylbenzyl)piperazin-1-yl]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK475212
SMILES OC(=O)C1C2C=CC(C1C(=O)N1CCN(CC1)Cc1ccc(cc1)C)O2
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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 C20H24N2O4 MW 356.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N2O4/c1-13-2-4-14(5-3-13)12-21-8-10-22(11-9-21)19(23)17-15-6-7-16(26-15)18(17)20(24)25/h2-7,15-18H,8-12H2,1H3,(H,24,25)InChIKey
PNCDCWBGQYHWQO-UHFFFAOYSA-NSynonyms
2(4((4methylphenyl)methyl)piperazine1carbonyl)7oxabicyclo(221)hept5ene3carboxylicacid
3((4((4METHYLPHENYL)METHYL)PIPERAZINYL)CARBONYL)7OXABICYCLO(221)HEPT5ENE2CARBOXYLICACID
3((4(4methylbenzyl)piperazin1yl)carbonyl)7oxabicyclo(221)hept5ene2carboxylicacid
CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3C4C=CC(C3C(=O)O)O4
InChI=1SC20H24N2O4c1132414(5313)122181022(11921)19(23)17156716(2615)18(17)20(24)25h271518H812H21H3(H2425)
MFCD06063553
ZINC000225790231
ZINC000239174205
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