Vitas-M small molecule compound

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

Catalog ID
STK082874
SMILES CCN1C(=O)CC(S/C/1=N\c1ccc2c(c1)OCO2)C(=O)Nc1ccc(cc1)C(=O)O

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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/c1-2-24-18(25)10-17(19(26)22-13-5-3-12(4-6-13)20(27)28)31-21(24)23-14-7-8-15-16(9-14)30-11-29-15/h3-9,17H,2,10-11H2,1H3,(H,22,26)(H,27,28)/b23-21-
InChIKey
PPNJRDZFEICCFF-LNVKXUELSA-N
Synonyms

(Z)4(2(benzo(d)(13)dioxol5ylimino)3ethyl4oxo13thiazinane6carboxamido)benzoicacid
4((((2Z)2(13benzodioxol5ylimino)3ethyl4oxo13thiazinan6yl)carbonyl)amino)benzoicacid
CCN1C(=O)CC(SC1=Nc1ccc2c(c1)OCO2)C(=O)Nc1ccc(cc1)C(=O)O
MFCD02230824
STK082874
ZINC000013424075
ZINC000013424076

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Available files

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