Vitas-M small molecule compound
6-[2-(1,3-benzodioxol-5-yl)-9-bromo-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoic acid
Catalog ID
STL527168
SMILES COc1ccc(c(c1OC)C(=O)O)C1Oc2ccc(cc2C2N1N=C(C2)c1ccc2c(c1)OCO2)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 C26H21BrN2O7 MW 553.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21BrN2O7/c1-32-21-8-5-15(23(26(30)31)24(21)33-2)25-29-18(16-10-14(27)4-7-19(16)36-25)11-17(28-29)13-3-6-20-22(9-13)35-12-34-20/h3-10,18,25H,11-12H2,1-2H3,(H,30,31)InChIKey
GRICWCKRHLLSFE-UHFFFAOYSA-NSynonyms
672276-97-03723228
6(2(13benzodioxol5yl)9bromo110bdihydropyrazolo(15c)(13)benzoxazin5yl)23dimethoxybenzoicacid
6(2(13benzodioxol5yl)9bromo510~(b)dihydro1~(H)pyrazolo(15c)(13)benzoxazin5yl)23dimethoxybenzoicacid
6(2(13BENZODIOXOL5YL)9BROMO510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZIN5YL)23DIMETHOXYBENZOICACID
6(2(benzo(d)(13)dioxol5yl)9bromo510bdihydro1Hbenzo(e)pyrazolo(15c)(13)oxazin5yl)23dimethoxybenzoicacid
672276970
InChI=1SC26H21BrN2O7c132218515(23(26(30)31)24(21)332)252918(161014(27)4719(16)3625)1117(2829)13362022(913)35123420h3101825H1112H212H3(H3031)
MFCD03267371
ZINC000070672733
ZINC000102808966
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