Vitas-M small molecule compound

2-methoxy-4-{(E)-[2-(morpholin-4-ium-4-yl)-4-oxo-1,3-thiazol-5(4H)-ylidene]methyl}-6-nitrophenolate

Catalog ID
STK568404
SMILES COc1cc(/C=C\2/SC(=NC2=O)[NH+]2CCOCC2)cc(c1[O-])[N+](=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 C15H15N3O6S MW 365.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15N3O6S/c1-23-11-7-9(6-10(13(11)19)18(21)22)8-12-14(20)16-15(25-12)17-2-4-24-5-3-17/h6-8,19H,2-5H2,1H3/b12-8+
InChIKey
HIMATZATXCWYJL-XYOKQWHBSA-N
Synonyms
844651-86-1
844651861
COc1cc(C=C2SC(=NC2=O)(NH+)2CCOCC2)cc(c1(O))(N+)(=O)(O)
MFCD04158567
ZINC000036237755

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Available files

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