Vitas-M small molecule compound

methyl 3-({[(3,5-dichloro-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4-(morpholin-4-yl)benzoate

Catalog ID
STK294829
SMILES COC(=O)c1ccc(c(c1)NC(=S)NC(=O)c1cc(Cl)cc(c1OC)Cl)N1CCOCC1

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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 C21H21Cl2N3O5S MW 498.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21Cl2N3O5S/c1-29-18-14(10-13(22)11-15(18)23)19(27)25-21(32)24-16-9-12(20(28)30-2)3-4-17(16)26-5-7-31-8-6-26/h3-4,9-11H,5-8H2,1-2H3,(H2,24,25,27,32)
InChIKey
ACWRYKMEALMUCD-UHFFFAOYSA-N
Synonyms

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3)Cl)Cl
InChI=1SC21H21Cl2N3O5Sc1291814(1013(22)1115(18)23)19(27)2521(32)2416912(20(28)302)3417(16)2657318626h34911H58H212H3(H224252732)
methyl3((((35dichloro2methoxyphenyl)carbonyl)carbamothioyl)amino)4(morpholin4yl)benzoate
methyl3((35dichloro2methoxybenzoyl)carbamothioylamino)4morpholin4ylbenzoate
MFCD07178049
ZINC000013946256
ZINC13946256

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Available files

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