Vitas-M small molecule compound

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

Catalog ID
STK739850
SMILES Clc1ccc2c(c1)C1CC(=NN1C(O2)c1cccc(c1)[N+](=O)[O-])c1ccc(cc1)C

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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 C23H18ClN3O3 MW 419.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18ClN3O3/c1-14-5-7-15(8-6-14)20-13-21-19-12-17(24)9-10-22(19)30-23(26(21)25-20)16-3-2-4-18(11-16)27(28)29/h2-12,21,23H,13H2,1H3
InChIKey
PATZBKAAFSVLEB-UHFFFAOYSA-N
Synonyms

2CHLORO9(4METHYLPHENYL)6(3NITROPHENYL)6H10AHBENZO(E)2PYRAZOLINO(15C)13OXAZINE
9chloro2(4methylphenyl)5(3nitrophenyl)110bdihydropyrazolo(15c)(13)benzoxazine
9CHLORO2(4METHYLPHENYL)5(3NITROPHENYL)510BDIHYDRO1HPYRAZOLO(15C)(13)BENZOXAZINE
9CHLORO5(3NITROPHENYL)2(4METHYLPHENYL)110BDIHYDROPYRAZOLO(15C)(13)BENZOXAZINE
9chloro5(3nitrophenyl)2(ptolyl)510bdihydro1Hbenzo(e)pyrazolo(15c)(13)oxazine
CC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Cl)OC3C5=CC(=CC=C5)(N+)(=O)(O)
Clc1ccc2c(c1)C1CC(=NN1C(O2)c1cccc(c1)(N+)(=O)(O))c1ccc(cc1)C
InChI=1SC23H18ClN3O3c1145715(8614)201321191217(24)91022(19)3023(26(21)2520)1632418(1116)27(28)29h2122123H13H21H3
MFCD01542655
ZINC000008426753
ZINC000100708372

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Available files

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