Vitas-M small molecule compound
2-(4-bromophenyl)-7,9-dichloro-5-methyl-5-(4-nitrophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Catalog ID
STL191693
SMILES Clc1cc2C3CC(=NN3C(Oc2c(c1)Cl)(C)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)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 C23H16BrCl2N3O3 MW 533.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16BrCl2N3O3/c1-23(14-4-8-17(9-5-14)29(30)31)28-21(18-10-16(25)11-19(26)22(18)32-23)12-20(27-28)13-2-6-15(24)7-3-13/h2-11,21H,12H2,1H3InChIKey
UPVKGOKZHABMRN-UHFFFAOYSA-NSynonyms
2(4bromophenyl)79dichloro5methyl5(4nitrophenyl)110bdihydropyrazolo(15c)(13)benzoxazine
CC1(N2C(CC(=N2)C3=CC=C(C=C3)Br)C4=CC(=CC(=C4O1)Cl)Cl)C5=CC=C(C=C5)(N+)(=O)(O)
Clc1cc2C3CC(=NN3C(Oc2c(c1)Cl)(C)c1ccc(cc1)(N+)(=O)(O))c1ccc(cc1)Br
InChI=1SC23H16BrCl2N3O3c123(144817(9514)29(30)31)2821(181016(25)1119(26)22(18)3223)1220(2728)132615(24)7313h21121H12H21H3
MFCD02667130
ZINC000100702635
ZINC000216051275
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