Vitas-M small molecule compound
ethyl 2-[4,4-dioxido-3-(piperidin-1-ylcarbonyl)-1H-4,1,2-benzothiadiazin-1-yl]butanoate
Catalog ID
STL104773
SMILES CCOC(=O)C(N1N=C(C(=O)N2CCCCC2)S(=O)(=O)c2c1cccc2)CC
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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 C19H25N3O5S MW 407.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N3O5S/c1-3-14(19(24)27-4-2)22-15-10-6-7-11-16(15)28(25,26)17(20-22)18(23)21-12-8-5-9-13-21/h6-7,10-11,14H,3-5,8-9,12-13H2,1-2H3InChIKey
JOQYZZDLCJYEJP-UHFFFAOYSA-NSynonyms
CCC(C(=O)OCC)N1C2=CC=CC=C2S(=O)(=O)C(=N1)C(=O)N3CCCCC3
ethyl2(44dioxido3(piperidin1ylcarbonyl)1H412benzothiadiazin1yl)butanoate
ethyl2(44dioxo3(piperidine1carbonyl)4$l^(6)12benzothiadiazin1yl)butanoate
InChI=1SC19H25N3O5Sc1314(19(24)2742)221510671116(15)28(2526)17(2022)18(23)21128591321h67101114H35891213H212H3
MFCD20736081
ZINC000065183237
ZINC000065183238
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