Vitas-M small molecule compound

4-[({(2Z)-2-[(3-methoxyphenyl)imino]-3-methyl-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid

Catalog ID
STK066439
SMILES COc1cccc(c1)/N=C/1\SC(CC(=O)N1C)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 C20H19N3O5S MW 413.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O5S/c1-23-17(24)11-16(18(25)21-13-8-6-12(7-9-13)19(26)27)29-20(23)22-14-4-3-5-15(10-14)28-2/h3-10,16H,11H2,1-2H3,(H,21,25)(H,26,27)/b22-20-
InChIKey
FQQOHIAVKAHSBS-XDOYNYLZSA-N
Synonyms
333327-78-9
(Z)4(2((3methoxyphenyl)imino)3methyl4oxo13thiazinane6carboxamido)benzoicacid
333327789
4((((2Z)2((3methoxyphenyl)imino)3methyl4oxo13thiazinan6yl)carbonyl)amino)benzoicacid
COc1cccc(c1)N=C1SC(CC(=O)N1C)C(=O)Nc1ccc(cc1)C(=O)O
MFCD02146911
STK066439
ZINC000013423890
ZINC000013423891

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Available files

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