Vitas-M small molecule compound

9-bromo-2-(4-methoxyphenyl)-5-(3-nitrophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

Catalog ID
STK952662
SMILES COc1ccc(cc1)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 C23H18BrN3O4 MW 480.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18BrN3O4/c1-30-18-8-5-14(6-9-18)20-13-21-19-12-16(24)7-10-22(19)31-23(26(21)25-20)15-3-2-4-17(11-15)27(28)29/h2-12,21,23H,13H2,1H3
InChIKey
MLWVGOLPNXWRCB-UHFFFAOYSA-N
Synonyms

1(2BROMO6(3NITROPHENYL)(6H10AHBENZO(E)2PYRAZOLINO(15C)13OXAZIN9YL))4METHOXYBENZENE
9bromo2(4methoxyphenyl)5(3nitrophenyl)110bdihydropyrazolo(15c)(13)benzoxazine
9BROMO2(4METHOXYPHENYL)5(3NITROPHENYL)510BDIHYDRO1HBENZO(E)PYRAZOLO(15C)(13)OXAZINE
9BROMO2(4METHOXYPHENYL)5(3NITROPHENYL)510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZINE
9BROMO5(3NITROPHENYL)2(4(METHYLOXY)PHENYL)110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE
COC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Br)OC3C5=CC(=CC=C5)(N+)(=O)(O)
COc1ccc(cc1)C1=NN2C(C1)c1cc(Br)ccc1OC2c1cccc(c1)(N+)(=O)(O)
InChI=1SC23H18BrN3O4c130188514(6918)201321191216(24)71022(19)3123(26(21)2520)1532417(1115)27(28)29h2122123H13H21H3
MFCD01542719
ZINC000006924982
ZINC000239347223

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.