Vitas-M small molecule compound

N-(3-acetylphenyl)-2-({6-[(2-chlorobenzyl)amino]pyrimidin-4-yl}sulfanyl)acetamide

Catalog ID
STL079874
SMILES O=C(Nc1cccc(c1)C(=O)C)CSc1ncnc(c1)NCc1ccccc1Cl

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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 C21H19ClN4O2S MW 426.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O2S/c1-14(27)15-6-4-7-17(9-15)26-20(28)12-29-21-10-19(24-13-25-21)23-11-16-5-2-3-8-18(16)22/h2-10,13H,11-12H2,1H3,(H,26,28)(H,23,24,25)
InChIKey
LZUAZXNGRJWLMU-UHFFFAOYSA-N
Synonyms

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=NC(=C2)NCC3=CC=CC=C3Cl
InChI=1SC21H19ClN4O2Sc114(27)1564717(915)2620(28)1229211019(24132521)231116523818(16)22h21013H1112H21H3(H2628)(H232425)
MFCD18200648
N(3acetylphenyl)2((6((2chlorobenzyl)amino)pyrimidin4yl)sulfanyl)acetamide
N(3acetylphenyl)2(6((2chlorophenyl)methylamino)pyrimidin4yl)sulfanylacetamide
ZINC000057505641
ZINC57505641

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Available files

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