Vitas-M small molecule compound

methyl 2-{[(4-butyl-3-methyl-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl)carbonyl]amino}benzoate

Catalog ID
STL421057
SMILES CCCCN1C(=NS(=O)(=O)c2c1ccc(c2)C(=O)Nc1ccccc1C(=O)OC)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 C21H23N3O5S MW 429.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O5S/c1-4-5-12-24-14(2)23-30(27,28)19-13-15(10-11-18(19)24)20(25)22-17-9-7-6-8-16(17)21(26)29-3/h6-11,13H,4-5,12H2,1-3H3,(H,22,25)
InChIKey
DOLCJWXEBLTKGY-UHFFFAOYSA-N
Synonyms

CCCCN1C(=NS(=O)(=O)C2=C1C=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)OC)C
InChI=1SC21H23N3O5Sc145122414(2)2330(2728)191315(101118(19)24)20(25)2217976816(17)21(26)293h61113H4512H213H3(H2225)
methyl2(((4butyl3methyl11dioxido4H124benzothiadiazin7yl)carbonyl)amino)benzoate
methyl2((4butyl3methyl11dioxo1$l^(6)24benzothiadiazine7carbonyl)amino)benzoate
MFCD15079545
ZINC000015867646
ZINC15867646

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Available files

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