Vitas-M small molecule compound

3-methyl-4-(2-methylpropyl)-N-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-benzothiadiazine-7-carboxamide 1,1-dioxide

Catalog ID
STL421089
SMILES CC(CN1C(=NS(=O)(=O)c2c1ccc(c2)C(=O)NCC1CCCO1)C)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 C18H25N3O4S MW 379.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H25N3O4S/c1-12(2)11-21-13(3)20-26(23,24)17-9-14(6-7-16(17)21)18(22)19-10-15-5-4-8-25-15/h6-7,9,12,15H,4-5,8,10-11H2,1-3H3,(H,19,22)
InChIKey
ZZMSRWSYGWHWIJ-UHFFFAOYSA-N
Synonyms

3methyl4(2methylpropyl)11dioxoN(oxolan2ylmethyl)1$l^(6)24benzothiadiazine7carboxamide
3methyl4(2methylpropyl)N(tetrahydrofuran2ylmethyl)4H124benzothiadiazine7carboxamide11dioxide
CC1=NS(=O)(=O)C2=C(N1CC(C)C)C=CC(=C2)C(=O)NCC3CCCO3
InChI=1SC18H25N3O4Sc112(2)112113(3)2026(2324)17914(6716(17)21)18(22)1910155482515h6791215H4581011H213H3(H1922)
MFCD15079579
ZINC000015867683
ZINC000015867684

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Available files

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