Vitas-M small molecule compound

tert-butyl 4-({3-[4-(benzyloxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)piperazine-1-carboxylate

Catalog ID
STL031048
SMILES O=C(N1CCN(CC1)Cc1onc(n1)c1ccc(cc1)OCc1ccccc1)OC(C)(C)C

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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 C25H30N4O4 MW 450.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O4/c1-25(2,3)32-24(30)29-15-13-28(14-16-29)17-22-26-23(27-33-22)20-9-11-21(12-10-20)31-18-19-7-5-4-6-8-19/h4-12H,13-18H2,1-3H3
InChIKey
JYBPUXNTVOZUQS-UHFFFAOYSA-N
Synonyms

CC(C)(C)OC(=O)N1CCN(CC1)CC2=NC(=NO2)C3=CC=C(C=C3)OCC4=CC=CC=C4
InChI=1SC25H30N4O4c125(23)3224(30)29151328(141629)17222623(273322)2091121(121020)3118197546819h412H1318H213H3
MFCD18191112
tertbutyl4((3(4(benzyloxy)phenyl)124oxadiazol5yl)methyl)piperazine1carboxylate
tertbutyl4((3(4phenylmethoxyphenyl)124oxadiazol5yl)methyl)piperazine1carboxylate
ZINC000057427853
ZINC57427853

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.