Vitas-M small molecule compound
6-[2-(4-bromophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoic acid
Catalog ID
STK539471
SMILES COc1c(OC)ccc(c1C(=O)O)C1Oc2ccccc2C2N1N=C(C2)c1ccc(cc1)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 C25H21BrN2O5 MW 509.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21BrN2O5/c1-31-21-12-11-17(22(25(29)30)23(21)32-2)24-28-19(16-5-3-4-6-20(16)33-24)13-18(27-28)14-7-9-15(26)10-8-14/h3-12,19,24H,13H2,1-2H3,(H,29,30)InChIKey
NUFKURWCWDSXKE-UHFFFAOYSA-NSynonyms
385385-60-4385385604
6(2(4bromophenyl)110bdihydropyrazolo(15c)(13)benzoxazin5yl)23dimethoxybenzoicacid
6(2(4bromophenyl)510bdihydro1Hbenzo(e)pyrazolo(15c)(13)oxazin5yl)23dimethoxybenzoicacid
6(2(4BROMOPHENYL)510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZIN5YL)23DIMETHOXYBENZOICACID
COC1=C(C(=C(C=C1)C2N3C(CC(=N3)C4=CC=C(C=C4)Br)C5=CC=CC=C5O2)C(=O)O)OC
InChI=1SC25H21BrN2O5c13121121117(22(25(29)30)23(21)322)242819(16534620(16)3324)1318(2728)147915(26)10814h3121924H13H212H3(H2930)
MFCD03285423
ZINC000009216415
ZINC000013552388
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