Vitas-M small molecule compound
9-bromo-2-(5-methylfuran-2-yl)-5-(4-nitrophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Catalog ID
STL017420
SMILES Brc1ccc2c(c1)C1CC(=NN1C(O2)c1ccc(cc1)[N+](=O)[O-])c1ccc(o1)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 C21H16BrN3O4 MW 454.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16BrN3O4/c1-12-2-8-20(28-12)17-11-18-16-10-14(22)5-9-19(16)29-21(24(18)23-17)13-3-6-15(7-4-13)25(26)27/h2-10,18,21H,11H2,1H3InChIKey
IBQFWMBTLOMZAQ-UHFFFAOYSA-NSynonyms
9bromo2(5methylfuran2yl)5(4nitrophenyl)110bdihydropyrazolo(15c)(13)benzoxazine
9bromo2(5methylfuran2yl)5(4nitrophenyl)510bdihydro1Hpyrazolo(15c)(13)benzoxazine
Brc1ccc2c(c1)C1CC(=NN1C(O2)c1ccc(cc1)(N+)(=O)(O))c1ccc(o1)C
CC1=CC=C(O1)C2=NN3C(C2)C4=C(C=CC(=C4)Br)OC3C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC21H16BrN3O4c1122820(2812)171118161014(22)5919(16)2921(24(18)2317)133615(7413)25(26)27h2101821H11H21H3
MFCD05847522
ZINC000008717641
ZINC000102873317
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