Vitas-M small molecule compound
3-{[(3-hydroxy-7-methoxy-2H-1,4-benzothiazin-2-yl)acetyl]amino}benzoic acid
Catalog ID
STL160261
SMILES COc1ccc2c(c1)SC(C(=N2)O)CC(=O)Nc1cccc(c1)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 C18H16N2O5S MW 372.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O5S/c1-25-12-5-6-13-14(8-12)26-15(17(22)20-13)9-16(21)19-11-4-2-3-10(7-11)18(23)24/h2-8,15H,9H2,1H3,(H,19,21)(H,20,22)(H,23,24)InChIKey
IUGHIQOKGQAOQX-UHFFFAOYSA-NSynonyms
1282133-74-71282133747
3(((3hydroxy7methoxy2H14benzothiazin2yl)acetyl)amino)benzoicacid
3((2(7methoxy3oxo4H14benzothiazin2yl)acetyl)amino)benzoicacid
COC1=CC2=C(C=C1)NC(=O)C(S2)CC(=O)NC3=CC=CC(=C3)C(=O)O
InChI=1SC18H16N2O5Sc12512561314(812)2615(17(22)2013)916(21)191142310(711)18(23)24h2815H9H21H3(H1921)(H2022)(H2324)
MFCD20758959
ZINC000061720550
ZINC000061720551
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