Vitas-M small molecule compound
2,2-dimethyl-5-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Catalog ID
STK760628
SMILES O=C1CC(C)(C)CC2=C1C(Nc1c2c2ccccc2cc1)c1cccn1c1cccc(c1)[N+](=O)[O-]
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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 C29H25N3O3 MW 463.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O3/c1-29(2)16-22-26-21-10-4-3-7-18(21)12-13-23(26)30-28(27(22)25(33)17-29)24-11-6-14-31(24)19-8-5-9-20(15-19)32(34)35/h3-15,28,30H,16-17H2,1-2H3InChIKey
JKBAOVBIZRCOFX-UHFFFAOYSA-NSynonyms
22dimethyl5(1(3nitrophenyl)1Hpyrrol2yl)2356tetrahydrobenzo(a)phenanthridin4(1H)one
22dimethyl5(1(3nitrophenyl)pyrrol2yl)1356tetrahydrobenzo(a)phenanthridin4one
CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC=CN5C6=CC(=CC=C6)(N+)(=O)(O))C(=O)C1)C
InChI=1SC29H25N3O3c129(2)162226211043718(21)121323(26)3028(27(22)25(33)1729)241161431(24)1985920(1519)32(34)35h3152830H1617H212H3
MFCD00701287
O=C1CC(C)(C)CC2=C1C(Nc1c2c2ccccc2cc1)c1cccn1c1cccc(c1)(N+)(=O)(O)
ZINC000000820720
ZINC000000820721
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