Vitas-M small molecule compound
6-[9-bromo-2-(3,4-dichlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoic acid
Catalog ID
STK999597
SMILES COc1ccc(c(c1OC)C(=O)O)C1Oc2ccc(cc2C2N1N=C(C2)c1ccc(c(c1)Cl)Cl)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 C25H19BrCl2N2O5 MW 578.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19BrCl2N2O5/c1-33-21-8-5-14(22(25(31)32)23(21)34-2)24-30-19(15-10-13(26)4-7-20(15)35-24)11-18(29-30)12-3-6-16(27)17(28)9-12/h3-10,19,24H,11H2,1-2H3,(H,31,32)InChIKey
GKOCMEZUFRWEAI-UHFFFAOYSA-NSynonyms
6(9bromo2(34dichlorophenyl)110bdihydropyrazolo(15c)(13)benzoxazin5yl)23dimethoxybenzoicacid
6(9bromo2(34dichlorophenyl)510bdihydro1Hbenzo(e)pyrazolo(15c)(13)oxazin5yl)23dimethoxybenzoicacid
6(9BROMO2(34DICHLOROPHENYL)510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZIN5YL)23DIMETHOXYBENZOICACID
COC1=C(C(=C(C=C1)C2N3C(CC(=N3)C4=CC(=C(C=C4)Cl)Cl)C5=C(O2)C=CC(=C5)Br)C(=O)O)OC
InChI=1SC25H19BrCl2N2O5c133218514(22(25(31)32)23(21)342)243019(151013(26)4720(15)3524)1118(2930)123616(27)17(28)912h3101924H11H212H3(H3132)
MFCD03293575
ZINC000103920573
ZINC000225163418
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