Vitas-M small molecule compound
3,3-dimethyl-5-[5-(3-nitrophenyl)furan-2-yl]-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one
Catalog ID
STK751424
SMILES O=C1CC(C)(C)CC2=C1c1c(NC2c2ccc(o2)c2cccc(c2)[N+](=O)[O-])ccc2c1cccc2
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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 C29H24N2O4 MW 464.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O4/c1-29(2)15-21-27(23(32)16-29)26-20-9-4-3-6-17(20)10-11-22(26)30-28(21)25-13-12-24(35-25)18-7-5-8-19(14-18)31(33)34/h3-14,28,30H,15-16H2,1-2H3InChIKey
UTGOUNIWICZNKQ-UHFFFAOYSA-NSynonyms
33dimethyl5(5(3nitrophenyl)furan2yl)2456tetrahydrobenzo(a)phenanthridin1one
33dimethyl5(5(3nitrophenyl)furan2yl)3456tetrahydrobenzo(a)phenanthridin1(2H)one
CC1(CC2=C(C(=O)C1)C3=C(C=CC4=CC=CC=C43)NC2C5=CC=C(O5)C6=CC(=CC=C6)(N+)(=O)(O))C
InChI=1SC29H24N2O4c129(2)152127(23(32)1629)2620943617(20)101122(26)3028(21)25131224(3525)1875819(1418)31(33)34h3142830H1516H212H3
MFCD00747042
O=C1CC(C)(C)CC2=C1c1c(NC2c2ccc(o2)c2cccc(c2)(N+)(=O)(O))ccc2c1cccc2
ZINC000003091038
ZINC000003091039
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