Vitas-M small molecule compound

N-tert-butyl-3,5-bis{[(3-methylphenoxy)acetyl]amino}benzamide

Catalog ID
STK027749
SMILES O=C(Nc1cc(NC(=O)COc2cccc(c2)C)cc(c1)C(=O)NC(C)(C)C)COc1cccc(c1)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 C29H33N3O5 MW 503.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O5/c1-19-8-6-10-24(12-19)36-17-26(33)30-22-14-21(28(35)32-29(3,4)5)15-23(16-22)31-27(34)18-37-25-11-7-9-20(2)13-25/h6-16H,17-18H2,1-5H3,(H,30,33)(H,31,34)(H,32,35)
InChIKey
RMLSEQLNVYHQBQ-UHFFFAOYSA-N
Synonyms

CC1=CC(=CC=C1)OCC(=O)NC2=CC(=CC(=C2)C(=O)NC(C)(C)C)NC(=O)COC3=CC=CC(=C3)C
InChI=1SC29H33N3O5c119861024(1219)361726(33)30221421(28(35)3229(34)5)1523(1622)3127(34)183725117920(2)1325h616H1718H215H3(H3033)(H3134)(H3235)
MFCD01974212
NTERTBUTYL35BIS(((3METHYLPHENOXY)ACETYL)AMINO)BENZAMIDE
NTERTBUTYL35BIS((2(3METHYLPHENOXY)ACETYL)AMINO)BENZAMIDE
O=C(Nc1cc(NC(=O)COc2cccc(c2)C)cc(c1)C(=O)NC(C)(C)C)COc1cccc(c1)C
STK027749
ZINC000009136494
ZINC09136494
ZINC9136494

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Available files

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