Vitas-M small molecule compound

methyl 5-(1,3-benzodioxol-5-yl)-2-methyl-2H-1,2,6-thiadiazine-3-carboxylate 1,1-dioxide

Catalog ID
STK342035
SMILES COC(=O)C1=CC(=NS(=O)(=O)N1C)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 C13H12N2O6S MW 324.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N2O6S/c1-15-10(13(16)19-2)6-9(14-22(15,17)18)8-3-4-11-12(5-8)21-7-20-11/h3-6H,7H2,1-2H3
InChIKey
CXRJSKZHFRCGSC-UHFFFAOYSA-N
Synonyms
899540-12-6
899540126
CN1C(=CC(=NS1(=O)=O)C2=CC3=C(C=C2)OCO3)C(=O)OC
InChI=1SC13H12N2O6Sc11510(13(16)192)69(1422(1517)18)8341112(58)2172011h36H7H212H3
methyl5(13benzodioxol5yl)2methyl11dioxo126thiadiazine3carboxylate
methyl5(13benzodioxol5yl)2methyl2H126thiadiazine3carboxylate11dioxide
METHYL5(2HBENZO(34D)13DIOXOLEN5YL)2METHYL11DIOXO126THIADIAZINE3CARBOXYLATE
MFCD08106859
ZINC000012848777
ZINC12848777

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Available files

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