Vitas-M small molecule compound
3-{[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK330764
SMILES OC(=O)C1C2CCC(C1C(=O)N1CCN(CC1)c1cccc(c1C)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 C20H26N2O4 MW 358.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N2O4/c1-12-4-3-5-14(13(12)2)21-8-10-22(11-9-21)19(23)17-15-6-7-16(26-15)18(17)20(24)25/h3-5,15-18H,6-11H2,1-2H3,(H,24,25)InChIKey
MQFAJDVHISGRMJ-UHFFFAOYSA-NSynonyms
2(4(23DIMETHYLPHENYL)PIPERAZINE1CARBONYL)7OXABICYCLO(221)HEPTANE3CARBOXYLICACID
3((4(23dimethylphenyl)piperazin1yl)carbonyl)7oxabicyclo(221)heptane2carboxylicacid
3((4(23DIMETHYLPHENYL)PIPERAZINYL)CARBONYL)7OXABICYCLO(221)HEPTANE2CARBOXYLICACID
CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3C4CCC(C3C(=O)O)O4)C
InChI=1SC20H26N2O4c11243514(13(12)2)2181022(11921)19(23)17156716(2615)18(17)20(24)25h351518H611H212H3(H2425)
MFCD01924237
ZINC000168103276
ZINC000222244439
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