Vitas-M small molecule compound

methyl 3-(1,3-benzodioxol-5-yl)-3-(5-hydroxy-2,1,3-benzothiadiazol-4-yl)propanoate

Catalog ID
STL407235
SMILES COC(=O)CC(c1c(O)ccc2c1nsn2)c1ccc2c(c1)OCO2

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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 C17H14N2O5S MW 358.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N2O5S/c1-22-15(21)7-10(9-2-5-13-14(6-9)24-8-23-13)16-12(20)4-3-11-17(16)19-25-18-11/h2-6,10,20H,7-8H2,1H3
InChIKey
XVOXGYGGIGYOFA-UHFFFAOYSA-N
Synonyms
1574296-28-8
1574296288
methyl3(13benzodioxol5yl)3(5hydroxy213benzothiadiazol4yl)propanoate
methyl3(benzo(d)(13)dioxol5yl)3(5hydroxybenzo(c)(125)thiadiazol4yl)propanoate
MFCD28058078
ZINC000096223687
ZINC000096223688

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Available files

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