Vitas-M small molecule compound

methyl 4-({[(2Z)-2-(1,3-benzodioxol-5-ylimino)-3-methyl-4-oxo-1,3-thiazinan-6-yl]carbonyl}amino)benzoate

Catalog ID
STK130035
SMILES COC(=O)c1ccc(cc1)NC(=O)C1CC(=O)N(/C(=N/c2ccc3c(c2)OCO3)/S1)C

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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 C21H19N3O6S MW 441.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O6S/c1-24-18(25)10-17(19(26)22-13-5-3-12(4-6-13)20(27)28-2)31-21(24)23-14-7-8-15-16(9-14)30-11-29-15/h3-9,17H,10-11H2,1-2H3,(H,22,26)/b23-21-
InChIKey
HGYPTMYFKAPCEA-LNVKXUELSA-N
Synonyms

COC(=O)c1ccc(cc1)NC(=O)C1CC(=O)N(C(=Nc2ccc3c(c2)OCO3)S1)C
methyl4((((2Z)2(13benzodioxol5ylimino)3methyl4oxo13thiazinan6yl)carbonyl)amino)benzoate
MFCD02230179
ZINC000012417083
ZINC000012417085

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Available files

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