Vitas-M small molecule compound

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

Catalog ID
STK205681
SMILES COC(=O)c1cc(ccc1N1CCOCC1)NC(=S)NC(=O)c1cc(Cl)ccc1Cl

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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 C20H19Cl2N3O4S MW 468.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19Cl2N3O4S/c1-28-19(27)15-11-13(3-5-17(15)25-6-8-29-9-7-25)23-20(30)24-18(26)14-10-12(21)2-4-16(14)22/h2-5,10-11H,6-9H2,1H3,(H2,23,24,26,30)
InChIKey
DUYUDCQAGFXXGW-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Cl)Cl)N3CCOCC3
InChI=1SC20H19Cl2N3O4Sc12819(27)151113(3517(15)2568299725)2320(30)2418(26)141012(21)2416(14)22h251011H69H21H3(H223242630)
METHYL5((((25DICHLOROPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)2(MORPHOLIN4YL)BENZOATE
methyl5((25dichlorobenzoyl)carbamothioylamino)2morpholin4ylbenzoate
MFCD06666735
ZINC000009971574
ZINC09971574
ZINC9971574

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Available files

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