Vitas-M small molecule compound
6-[9-bromo-2-(4-fluorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoic acid
Catalog ID
STK540894
SMILES COc1ccc(c(c1OC)C(=O)O)C1Oc2ccc(cc2C2N1N=C(C2)c1ccc(cc1)F)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 C25H20BrFN2O5 MW 527.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20BrFN2O5/c1-32-21-10-8-16(22(25(30)31)23(21)33-2)24-29-19(17-11-14(26)5-9-20(17)34-24)12-18(28-29)13-3-6-15(27)7-4-13/h3-11,19,24H,12H2,1-2H3,(H,30,31)InChIKey
JKSSNICHVSCDPS-UHFFFAOYSA-NSynonyms
371224-88-3371224883
6(9bromo2(4fluorophenyl)110bdihydropyrazolo(15c)(13)benzoxazin5yl)23dimethoxybenzoicacid
6(9bromo2(4fluorophenyl)510bdihydro1Hbenzo(e)pyrazolo(15c)(13)oxazin5yl)23dimethoxybenzoicacid
6(9BROMO2(4FLUOROPHENYL)510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZIN5YL)23DIMETHOXYBENZOICACID
COC1=C(C(=C(C=C1)C2N3C(CC(=N3)C4=CC=C(C=C4)F)C5=C(O2)C=CC(=C5)Br)C(=O)O)OC
InChI=1SC25H20BrFN2O5c1322110816(22(25(30)31)23(21)332)242919(171114(26)5920(17)3424)1218(2829)133615(27)7413h3111924H12H212H3(H3031)
MFCD03010391
ZINC000097951341
ZINC000102687641
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