Vitas-M small molecule compound
2-{[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]methyl}-6-(2-methoxyphenyl)pyridazin-3(2H)-one
Catalog ID
STL245753
SMILES COc1ccccc1c1ccc(=O)n(n1)CN1CCN(CC1)C1CCS(=O)(=O)C1
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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 C20H26N4O4S MW 418.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O4S/c1-28-19-5-3-2-4-17(19)18-6-7-20(25)24(21-18)15-22-9-11-23(12-10-22)16-8-13-29(26,27)14-16/h2-7,16H,8-15H2,1H3InChIKey
FOTCODWATKKQEK-UHFFFAOYSA-NSynonyms
1401591-15-81401591158
2((4(11dioxidotetrahydrothiophen3yl)piperazin1yl)methyl)6(2methoxyphenyl)pyridazin3(2H)one
2((4(11dioxothiolan3yl)piperazin1yl)methyl)6(2methoxyphenyl)pyridazin3one
COC1=CC=CC=C1C2=NN(C(=O)C=C2)CN3CCN(CC3)C4CCS(=O)(=O)C4
InChI=1SC20H26N4O4Sc12819532417(19)186720(25)24(2118)152291123(121022)1681329(2627)1416h2716H815H21H3
MFCD22585014
ZINC000079490653
ZINC000079490656
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