Vitas-M small molecule compound

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

Catalog ID
STK059616
SMILES COc1ccc(cc1)CN1C(=O)CC(S/C/1=N\c1ccccc1)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 C26H23N3O5S MW 489.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O5S/c1-34-21-13-7-17(8-14-21)16-29-23(30)15-22(35-26(29)28-19-5-3-2-4-6-19)24(31)27-20-11-9-18(10-12-20)25(32)33/h2-14,22H,15-16H2,1H3,(H,27,31)(H,32,33)/b28-26-
InChIKey
SWHYWJHTZGYAKX-SGEDCAFJSA-N
Synonyms
442536-65-4
(Z)4(3(4methoxybenzyl)4oxo2(phenylimino)13thiazinane6carboxamido)benzoicacid
4((((2Z)3(4methoxybenzyl)4oxo2(phenylimino)13thiazinan6yl)carbonyl)amino)benzoicacid
442536654
COc1ccc(cc1)CN1C(=O)CC(SC1=Nc1ccccc1)C(=O)Nc1ccc(cc1)C(=O)O
MFCD02144002
STK059616
ZINC000009553426
ZINC000013686097

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Available files

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