Vitas-M small molecule compound

(5E)-5-{[1-(2-chlorobenzyl)-1H-indol-3-yl]methylidene}-1-ethyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione

Catalog ID
STK581866
SMILES CCN1C(=NC(=O)/C(=C\c2cn(c3c2cccc3)Cc2ccccc2Cl)/C1=O)S

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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 C22H18ClN3O2S MW 423.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClN3O2S/c1-2-26-21(28)17(20(27)24-22(26)29)11-15-13-25(19-10-6-4-8-16(15)19)12-14-7-3-5-9-18(14)23/h3-11,13H,2,12H2,1H3,(H,24,27,29)/b17-11+
InChIKey
OCFPORYATHXGTO-GZTJUZNOSA-N
Synonyms
799829-06-4
CCN1C(=NC(=O)C(=Cc2cn(c3c2cccc3)Cc2ccccc2Cl)C1=O)S
Registry IDs
MFCD07212111
ZINC000008973672

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Available files

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