Vitas-M small molecule compound

3-methyl-4-propyl-4H-1,2,4-benzothiadiazine-7-carboxylic acid 1,1-dioxide

Catalog ID
STK519341
SMILES CCCN1C(=NS(=O)(=O)c2c1ccc(c2)C(=O)O)C

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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 C12H14N2O4S MW 282.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N2O4S/c1-3-6-14-8(2)13-19(17,18)11-7-9(12(15)16)4-5-10(11)14/h4-5,7H,3,6H2,1-2H3,(H,15,16)
InChIKey
OWNIJFXGHFSNME-UHFFFAOYSA-N
Synonyms
1159694-73-1
1159694731
3methyl11dioxo4propyl1$l^(6)24benzothiadiazine7carboxylicacid
3METHYL11DIOXO4PROPYL14DIHYDRO1LAMBDA6BENZO(124)THIADIAZINE7CARBOXYLICACID
3methyl4propyl4H124benzothiadiazine7carboxylicacid11dioxide
CCCN1C(=NS(=O)(=O)C2=C1C=CC(=C2)C(=O)O)C
InChI=1SC12H14N2O4Sc136148(2)1319(1718)1179(12(15)16)4510(11)14h457H36H212H3(H1516)
MFCD13370790
ZINC000036075271
ZINC36075271

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Available files

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