Vitas-M small molecule compound
3-{[3-methyl-4-(4-methylphenyl)piperazin-1-yl]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK897686
SMILES Cc1ccc(cc1)N1CCN(CC1C)C(=O)C1C2CCC(C1C(=O)O)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/c1-12-3-5-14(6-4-12)22-10-9-21(11-13(22)2)19(23)17-15-7-8-16(26-15)18(17)20(24)25/h3-6,13,15-18H,7-11H2,1-2H3,(H,24,25)InChIKey
FUMBRRPVZRBAAB-UHFFFAOYSA-NSynonyms
2(3methyl4(4methylphenyl)piperazine1carbonyl)7oxabicyclo(221)heptane3carboxylicacid
3((3methyl4(4methylphenyl)piperazin1yl)carbonyl)7oxabicyclo(221)heptane2carboxylicacid
CC1CN(CCN1C2=CC=C(C=C2)C)C(=O)C3C4CCC(C3C(=O)O)O4
InChI=1SC20H26N2O4c1123514(6412)2210921(1113(22)2)19(23)17157816(2615)18(17)20(24)25h36131518H711H212H3(H2425)
MFCD06066086
ZINC000245255166
ZINC000245255169
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