Vitas-M small molecule compound
6-{9-bromo-2-[4-(difluoromethoxy)phenyl]-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl}-2,3-dimethoxybenzoic acid
Catalog ID
STK541020
SMILES COc1ccc(c(c1OC)C(=O)O)C1Oc2ccc(cc2C2N1N=C(C2)c1ccc(cc1)OC(F)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 C26H21BrF2N2O6 MW 575.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21BrF2N2O6/c1-34-21-10-8-16(22(25(32)33)23(21)35-2)24-31-19(17-11-14(27)5-9-20(17)37-24)12-18(30-31)13-3-6-15(7-4-13)36-26(28)29/h3-11,19,24,26H,12H2,1-2H3,(H,32,33)InChIKey
UJHUVOJVNIQJSP-UHFFFAOYSA-NSynonyms
6(9bromo2(4(difluoromethoxy)phenyl)110bdihydropyrazolo(15c)(13)benzoxazin5yl)23dimethoxybenzoicacid
6(9bromo2(4(difluoromethoxy)phenyl)510bdihydro1Hbenzo(e)pyrazolo(15c)(13)oxazin5yl)23dimethoxybenzoicacid
6(9BROMO2(4(DIFLUOROMETHOXY)PHENYL)510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZIN5YL)23DIMETHOXYBENZOICACID
COC1=C(C(=C(C=C1)C2N3C(CC(=N3)C4=CC=C(C=C4)OC(F)F)C5=C(O2)C=CC(=C5)Br)C(=O)O)OC
InChI=1SC26H21BrF2N2O6c1342110816(22(25(32)33)23(21)352)243119(171114(27)5920(17)3724)1218(3031)133615(7413)3626(28)29h311192426H12H212H3(H3233)
MFCD03010346
ZINC000102428925
ZINC000105790090
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