Vitas-M small molecule compound

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

Catalog ID
STK078366
SMILES CCN1C(=O)CC(S/C/1=N\c1ccc(cc1)C(=O)OC)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 C22H21N3O6S MW 455.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O6S/c1-3-25-18(26)12-17(19(27)23-15-8-4-13(5-9-15)20(28)29)32-22(25)24-16-10-6-14(7-11-16)21(30)31-2/h4-11,17H,3,12H2,1-2H3,(H,23,27)(H,28,29)/b24-22-
InChIKey
LSXJINKXJBBNRC-GYHWCHFESA-N
Synonyms
470676-41-6
(Z)4(3ethyl2((4(methoxycarbonyl)phenyl)imino)4oxo13thiazinane6carboxamido)benzoicacid
4((((2Z)3ethyl2((4(methoxycarbonyl)phenyl)imino)4oxo13thiazinan6yl)carbonyl)amino)benzoicacid
470676416
CCN1C(=O)CC(SC1=Nc1ccc(cc1)C(=O)OC)C(=O)Nc1ccc(cc1)C(=O)O
MFCD02146736
STK078366
ZINC000009428460
ZINC000009428461

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Available files

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