Vitas-M small molecule compound

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

Catalog ID
STK205679
SMILES COC(=O)c1cc(ccc1N1CCOCC1)NC(=S)NC(=O)c1cccc(c1)Cl

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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 C20H20ClN3O4S MW 433.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN3O4S/c1-27-19(26)16-12-15(5-6-17(16)24-7-9-28-10-8-24)22-20(29)23-18(25)13-3-2-4-14(21)11-13/h2-6,11-12H,7-10H2,1H3,(H2,22,23,25,29)
InChIKey
ZIPGXJSDDVDGAF-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)Cl)N3CCOCC3
InChI=1SC20H20ClN3O4Sc12719(26)161215(5617(16)24792810824)2220(29)2318(25)1332414(21)1113h261112H710H21H3(H222232529)
METHYL5((((3CHLOROPHENYL)CARBONYL)CARBAMOTHIOYL)AMINO)2(MORPHOLIN4YL)BENZOATE
methyl5((3chlorobenzoyl)carbamothioylamino)2morpholin4ylbenzoate
MFCD06666733
ZINC000009971571
ZINC09971571
ZINC9971571

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Available files

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