Vitas-M small molecule compound
2-(4-bromo-1H-pyrazol-1-yl)-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
STL523418
SMILES COc1c2CN(C)CCc2c(c2c1OCO2)S(=O)(=O)N1CCN(CC1)C(=O)Cn1ncc(c1)Br
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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 C21H26BrN5O6S MW 556.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26BrN5O6S/c1-24-4-3-15-16(11-24)18(31-2)19-20(33-13-32-19)21(15)34(29,30)27-7-5-25(6-8-27)17(28)12-26-10-14(22)9-23-26/h9-10H,3-8,11-13H2,1-2H3InChIKey
VLALSSWVWSAAMR-UHFFFAOYSA-NSynonyms
125428088
2(4bromo1Hpyrazol1yl)1(4((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin9yl)sulfonyl)piperazin1yl)ethanone
2(4bromopyrazol1yl)1(4((4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin9yl)sulfonyl)piperazin1yl)ethanone
InChI=1SC21H26BrN5O6Sc124431516(1124)18(312)1920(33133219)21(15)34(2930)277525(6827)17(28)12261014(22)92326h910H381113H212H3
MFCD31752850
ZINC000524729476
ZINC524729476
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