Vitas-M small molecule compound

methyl 3-({[2-(thiomorpholin-4-ylcarbonyl)phenyl]carbamoyl}amino)benzoate

Catalog ID
STL239725
SMILES COC(=O)c1cccc(c1)NC(=O)Nc1ccccc1C(=O)N1CCSCC1

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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 C20H21N3O4S MW 399.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O4S/c1-27-19(25)14-5-4-6-15(13-14)21-20(26)22-17-8-3-2-7-16(17)18(24)23-9-11-28-12-10-23/h2-8,13H,9-12H2,1H3,(H2,21,22,26)
InChIKey
NWRFJARALHHGQW-UHFFFAOYSA-N
Synonyms
1081126-50-2
1081126502
COC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC=CC=C2C(=O)N3CCSCC3
InChI=1SC20H21N3O4Sc12719(25)1454615(1314)2120(26)2217832716(17)18(24)2391128121023h2813H912H21H3(H2212226)
methyl3(((2(thiomorpholin4ylcarbonyl)phenyl)carbamoyl)amino)benzoate
methyl3((2(thiomorpholine4carbonyl)phenyl)carbamoylamino)benzoate
methyl3(3(2(thiomorpholine4carbonyl)phenyl)ureido)benzoate
MFCD12207753
ZINC000020729466
ZINC20729466

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Available files

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