Vitas-M small molecule compound

(4-butyl-3-methyl-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl)(4-methylpiperazin-1-yl)methanone

Catalog ID
STL421065
SMILES CCCCN1C(=NS(=O)(=O)c2c1ccc(c2)C(=O)N1CCN(CC1)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 C18H26N4O3S MW 378.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H26N4O3S/c1-4-5-8-22-14(2)19-26(24,25)17-13-15(6-7-16(17)22)18(23)21-11-9-20(3)10-12-21/h6-7,13H,4-5,8-12H2,1-3H3
InChIKey
RPFCPJQZVRJTDO-UHFFFAOYSA-N
Synonyms

(4butyl3methyl11dioxido4H124benzothiadiazin7yl)(4methylpiperazin1yl)methanone
(4butyl3methyl11dioxo1$l^(6)24benzothiadiazin7yl)(4methylpiperazin1yl)methanone
CCCCN1C(=NS(=O)(=O)C2=C1C=CC(=C2)C(=O)N3CCN(CC3)C)C
InChI=1SC18H26N4O3Sc14582214(2)1926(2425)171315(6716(17)22)18(23)2111920(3)101221h6713H45812H213H3
MFCD15079553
ZINC000015867654
ZINC15867654

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Available files

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