Vitas-M small molecule compound

N-{(2S)-1-[(2-methoxybenzyl)amino]-1-oxopropan-2-yl}-3-phenyl-2,1-benzoxazole-5-carboxamide

Catalog ID
STK633444
SMILES COc1ccccc1CNC(=O)[C@@H](NC(=O)c1ccc2c(c1)c(on2)c1ccccc1)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 C25H23N3O4 MW 429.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O4/c1-16(24(29)26-15-19-10-6-7-11-22(19)31-2)27-25(30)18-12-13-21-20(14-18)23(32-28-21)17-8-4-3-5-9-17/h3-14,16H,15H2,1-2H3,(H,26,29)(H,27,30)/t16-/m0/s1
InChIKey
LHHAYOIJXPZSMT-INIZCTEOSA-N
Synonyms
1176649-28-7
(S)N(1((2methoxybenzyl)amino)1oxopropan2yl)3phenylbenzo(c)isoxazole5carboxamide
1176649287
CC(C(=O)NCC1=CC=CC=C1OC)NC(=O)C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4
COc1ccccc1CNC(=O)(C@@H)(NC(=O)c1ccc2c(c1)c(on2)c1ccccc1)C
InChI=1SC25H23N3O4c116(24(29)26151910671122(19)312)2725(30)1812132120(1418)23(322821)178435917h31416H15H212H3(H2629)(H2730)t16m0s1
MFCD18160101
N((2S)1((2methoxybenzyl)amino)1oxopropan2yl)3phenyl21benzoxazole5carboxamide
N((2S)1((2methoxyphenyl)methylamino)1oxopropan2yl)3phenyl21benzoxazole5carboxamide
ZINC000012389411
ZINC12389411

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Available files

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