Vitas-M small molecule compound
2-(4-bromophenyl)-9-chloro-5-methyl-5-(4-nitrophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Catalog ID
STK885281
SMILES Clc1ccc2c(c1)C1CC(=NN1C(O2)(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 C23H17BrClN3O3 MW 498.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17BrClN3O3/c1-23(15-4-9-18(10-5-15)28(29)30)27-21(19-12-17(25)8-11-22(19)31-23)13-20(26-27)14-2-6-16(24)7-3-14/h2-12,21H,13H2,1H3InChIKey
YIAWVZUKVNZZOX-UHFFFAOYSA-NSynonyms
2(4bromophenyl)9chloro5methyl5(4nitrophenyl)110bdihydropyrazolo(15c)(13)benzoxazine
CC1(N2C(CC(=N2)C3=CC=C(C=C3)Br)C4=C(O1)C=CC(=C4)Cl)C5=CC=C(C=C5)(N+)(=O)(O)
Clc1ccc2c(c1)C1CC(=NN1C(O2)(C)c1ccc(cc1)(N+)(=O)(O))c1ccc(cc1)Br
InChI=1SC23H17BrClN3O3c123(154918(10515)28(29)30)2721(191217(25)81122(19)3123)1320(2627)142616(24)7314h21221H13H21H3
MFCD02667040
ZINC000019880996
ZINC000019881004
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