Vitas-M small molecule compound

N-[1H-indol-3-yl(4-methylphenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide

Catalog ID
STK518563
SMILES COc1cc(cc(c1OC)OC)C(=O)N(C(c1c[nH]c2c1cccc2)c1ccc(cc1)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 C27H28N2O4 MW 444.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O4/c1-17-10-12-18(13-11-17)25(21-16-28-22-9-7-6-8-20(21)22)29(2)27(30)19-14-23(31-3)26(33-5)24(15-19)32-4/h6-16,25,28H,1-5H3
InChIKey
ACIYVRFRQXUMPL-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)C(C2=CNC3=CC=CC=C32)N(C)C(=O)C4=CC(=C(C(=C4)OC)OC)OC
COc1cc(cc(c1OC)OC)C(=O)N(C(c1c(nH)c2c1cccc2)c1ccc(cc1)C)C
InChI=1SC27H28N2O4c117101218(131117)25(21162822976820(21)22)29(2)27(30)191423(313)26(335)24(1519)324h6162528H15H3
MFCD12918223
N(1Hindol3yl(4methylphenyl)methyl)345trimethoxyNmethylbenzamide
ZINC000015670873
ZINC000015670874

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Available files

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