Vitas-M small molecule compound
6-(9-bromo-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl)-2,3-dimethoxybenzoic acid
Catalog ID
STK539375
SMILES COc1ccc(c(c1OC)C(=O)O)C1Oc2ccc(cc2C2N1N=C(C2)c1ccccc1)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/c1-31-21-11-9-16(22(25(29)30)23(21)32-2)24-28-19(17-12-15(26)8-10-20(17)33-24)13-18(27-28)14-6-4-3-5-7-14/h3-12,19,24H,13H2,1-2H3,(H,29,30)InChIKey
CASXCOUUAPMUOA-UHFFFAOYSA-NSynonyms
371204-66-9371204669
6(9bromo2phenyl110bdihydropyrazolo(15c)(13)benzoxazin5yl)23dimethoxybenzoicacid
6(9bromo2phenyl510bdihydro1Hbenzo(e)pyrazolo(15c)(13)oxazin5yl)23dimethoxybenzoicacid
6(9BROMO2PHENYL510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZIN5YL)23DIMETHOXYBENZOICACID
COC1=C(C(=C(C=C1)C2N3C(CC(=N3)C4=CC=CC=C4)C5=C(O2)C=CC(=C5)Br)C(=O)O)OC
InChI=1SC25H21BrN2O5c1312111916(22(25(29)30)23(21)322)242819(171215(26)81020(17)3324)1318(2728)146435714h3121924H13H212H3(H2930)
MFCD03009518
ZINC000009085846
ZINC000013550573
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