Vitas-M small molecule compound

methyl 5-({[(2-methoxyphenyl)carbonyl]carbamothioyl}amino)-2-(morpholin-4-yl)benzoate

Catalog ID
STK723734
SMILES COC(=O)c1cc(ccc1N1CCOCC1)NC(=S)NC(=O)c1ccccc1OC

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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 C21H23N3O5S MW 429.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O5S/c1-27-18-6-4-3-5-15(18)19(25)23-21(30)22-14-7-8-17(16(13-14)20(26)28-2)24-9-11-29-12-10-24/h3-8,13H,9-12H2,1-2H3,(H2,22,23,25,30)
InChIKey
QQEFDNSIXOPHTE-UHFFFAOYSA-N
Synonyms
1003708-83-5
1003708835
COC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)C(=O)OC
InChI=1SC21H23N3O5Sc12718643515(18)19(25)2321(30)22147817(16(1314)20(26)282)2491129121024h3813H912H212H3(H222232530)
methyl5((((2methoxyphenyl)carbonyl)carbamothioyl)amino)2(morpholin4yl)benzoate
methyl5((2methoxybenzoyl)carbamothioylamino)2morpholin4ylbenzoate
methyl5(3(2methoxybenzoyl)thioureido)2morpholinobenzoate
MFCD12129147
ZINC000012323344
ZINC12323344

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Available files

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