Vitas-M small molecule compound

ethyl 4-({(2Z)-6-carbamoyl-3-[2-(4-chlorophenyl)ethyl]-4-oxo-1,3-thiazinan-2-ylidene}amino)benzoate

Catalog ID
STK112692
SMILES CCOC(=O)c1ccc(cc1)/N=C/1\SC(CC(=O)N1CCc1ccc(cc1)Cl)C(=O)N

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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 C22H22ClN3O4S MW 459.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN3O4S/c1-2-30-21(29)15-5-9-17(10-6-15)25-22-26(19(27)13-18(31-22)20(24)28)12-11-14-3-7-16(23)8-4-14/h3-10,18H,2,11-13H2,1H3,(H2,24,28)/b25-22-
InChIKey
OSBWPVBZRJQWMW-LVWGJNHUSA-N
Synonyms

CCOC(=O)c1ccc(cc1)N=C1SC(CC(=O)N1CCc1ccc(cc1)Cl)C(=O)N
ethyl4(((2Z)6carbamoyl3(2(4chlorophenyl)ethyl)4oxo13thiazinan2ylidene)amino)benzoate
MFCD02146141
ZINC000002729808
ZINC000012469680

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Available files

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