Vitas-M small molecule compound
5-(4-bromo-3-nitrophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Catalog ID
STK758849
SMILES O=C1CC(C)(C)CC2=C1C(Nc1c2c2ccccc2cc1)c1ccc(c(c1)[N+](=O)[O-])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 C25H21BrN2O3 MW 477.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21BrN2O3/c1-25(2)12-17-22-16-6-4-3-5-14(16)8-10-19(22)27-24(23(17)21(29)13-25)15-7-9-18(26)20(11-15)28(30)31/h3-11,24,27H,12-13H2,1-2H3InChIKey
XCJWVAZKIJAREC-UHFFFAOYSA-NSynonyms
5(4bromo3nitrophenyl)22dimethyl1356tetrahydrobenzo(a)phenanthridin4one
5(4bromo3nitrophenyl)22dimethyl2356tetrahydrobenzo(a)phenanthridin4(1H)one
CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=C(C=C5)Br)(N+)(=O)(O))C(=O)C1)C
InChI=1SC25H21BrN2O3c125(2)12172216643514(16)81019(22)2724(23(17)21(29)1325)157918(26)20(1115)28(30)31h3112427H1213H212H3
MFCD00657546
O=C1CC(C)(C)CC2=C1C(Nc1c2c2ccccc2cc1)c1ccc(c(c1)(N+)(=O)(O))Br
ZINC000002053026
ZINC000002053027
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