Vitas-M small molecule compound
2-(1,3-benzodioxol-5-yloxy)-1-{4-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)sulfonyl]piperazin-1-yl}ethanone
Catalog ID
STL523670
SMILES COc1c2CN(C)CCc2c(c2c1OCO2)S(=O)(=O)N1CCN(CC1)C(=O)COc1ccc2c(c1)OCO2
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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 C25H29N3O9S MW 547.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O9S/c1-26-6-5-17-18(12-26)22(32-2)23-24(37-15-36-23)25(17)38(30,31)28-9-7-27(8-10-28)21(29)13-33-16-3-4-19-20(11-16)35-14-34-19/h3-4,11H,5-10,12-15H2,1-2H3InChIKey
MBQPEJPWRXBBTC-UHFFFAOYSA-NSynonyms
125429138
2(13benzodioxol5yloxy)1(4((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin9yl)sulfonyl)piperazin1yl)ethanone
2(13benzodioxol5yloxy)1(4((4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin9yl)sulfonyl)piperazin1yl)ethanone
2(benzo(d)(13)dioxol5yloxy)1(4((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin9yl)sulfonyl)piperazin1yl)ethanone
InChI=1SC25H29N3O9Sc126651718(1226)22(322)2324(37153623)25(17)38(3031)289727(81028)21(29)133316341920(1116)35143419h3411H5101215H212H3
MFCD31753100
ZINC000524730527
ZINC524730527
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