Vitas-M small molecule compound
[9-bromo-2-(3,4-dimethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl](4-chlorophenyl)methanone
Catalog ID
STL191964
SMILES COc1ccc(cc1OC)C1=NN2C(C1)c1cc(Br)ccc1OC2C(=O)c1ccc(cc1)Cl
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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 C25H20BrClN2O4 MW 527.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20BrClN2O4/c1-31-22-9-5-15(11-23(22)32-2)19-13-20-18-12-16(26)6-10-21(18)33-25(29(20)28-19)24(30)14-3-7-17(27)8-4-14/h3-12,20,25H,13H2,1-2H3InChIKey
OQMSESSNJGTKKN-UHFFFAOYSA-NSynonyms
(9bromo2(34dimethoxyphenyl)110bdihydropyrazolo(15c)(13)benzoxazin5yl)(4chlorophenyl)methanone
(9BROMO2(34DIMETHOXYPHENYL)510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZIN5YL)(4CHLOROPHENYL)METHANONE
COC1=C(C=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Br)OC3C(=O)C5=CC=C(C=C5)Cl)OC
InChI=1SC25H20BrClN2O4c131229515(1123(22)322)191320181216(26)61021(18)3325(29(20)2819)24(30)143717(27)8414h3122025H13H212H3
MFCD02676235
ZINC000100730890
ZINC000239378394
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