Vitas-M small molecule compound
9-bromo-2-(5-ethylfuran-2-yl)-5-(3-nitrophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Catalog ID
STL016506
SMILES CCc1ccc(o1)C1=NN2C(C1)c1cc(Br)ccc1OC2c1cccc(c1)[N+](=O)[O-]
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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 C22H18BrN3O4 MW 468.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrN3O4/c1-2-16-7-9-21(29-16)18-12-19-17-11-14(23)6-8-20(17)30-22(25(19)24-18)13-4-3-5-15(10-13)26(27)28/h3-11,19,22H,2,12H2,1H3InChIKey
BXTAQYXRAXXOCR-UHFFFAOYSA-NSynonyms
2BROMO9(5ETHYL(2FURYL))6(3NITROPHENYL)6H10AHBENZO(E)2PYRAZOLINO(15C)13OXAZINE
9bromo2(5ethylfuran2yl)5(3nitrophenyl)110bdihydropyrazolo(15c)(13)benzoxazine
9bromo2(5ethylfuran2yl)5(3nitrophenyl)510bdihydro1Hpyrazolo(15c)(13)benzoxazine
CCC1=CC=C(O1)C2=NN3C(C2)C4=C(C=CC(=C4)Br)OC3C5=CC(=CC=C5)(N+)(=O)(O)
CCc1ccc(o1)C1=NN2C(C1)c1cc(Br)ccc1OC2c1cccc(c1)(N+)(=O)(O)
InChI=1SC22H18BrN3O4c12167921(2916)181219171114(23)6820(17)3022(25(19)2418)1343515(1013)26(27)28h3111922H212H21H3
MFCD12968023
ZINC000036636098
ZINC000245228678
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