Vitas-M small molecule compound

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

Catalog ID
STL031052
SMILES O=C(N1CCCN(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 C26H32N4O4 MW 464.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N4O4/c1-26(2,3)33-25(31)30-15-7-14-29(16-17-30)18-23-27-24(28-34-23)21-10-12-22(13-11-21)32-19-20-8-5-4-6-9-20/h4-6,8-13H,7,14-19H2,1-3H3
InChIKey
LKADTCBDFCNHRT-UHFFFAOYSA-N
Synonyms

CC(C)(C)OC(=O)N1CCCN(CC1)CC2=NC(=NO2)C3=CC=C(C=C3)OCC4=CC=CC=C4
InChI=1SC26H32N4O4c126(23)3325(31)301571429(161730)18232724(283423)21101222(131121)3219208546920h46813H71419H213H3
MFCD18191116
tertbutyl4((3(4(benzyloxy)phenyl)124oxadiazol5yl)methyl)14diazepane1carboxylate
tertbutyl4((3(4phenylmethoxyphenyl)124oxadiazol5yl)methyl)14diazepane1carboxylate
ZINC000057427857
ZINC57427857

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Available files

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