Vitas-M small molecule compound
2,2-dimethyl-5-[(Z)-2-(2-nitrophenyl)ethenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Catalog ID
STK334016
SMILES O=C1CC(C)(C)CC2=C1C(/C=C\c1ccccc1[N+](=O)[O-])Nc1c2c2ccccc2cc1
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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 C27H24N2O3 MW 424.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O3/c1-27(2)15-20-25-19-9-5-3-7-17(19)11-13-21(25)28-22(26(20)24(30)16-27)14-12-18-8-4-6-10-23(18)29(31)32/h3-14,22,28H,15-16H2,1-2H3/b14-12-InChIKey
WCHMGBSHIVUKNC-OWBHPGMISA-NSynonyms
22dimethyl5((Z)2(2nitrophenyl)ethenyl)1356tetrahydrobenzo(a)phenanthridin4one
22dimethyl5((Z)2(2nitrophenyl)ethenyl)2356tetrahydrobenzo(a)phenanthridin4(1H)one
CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C=CC5=CC=CC=C5(N+)(=O)(O))C(=O)C1)C
InChI=1SC27H24N2O3c127(2)15202519953717(19)111321(25)2822(26(20)24(30)1627)1412188461023(18)29(31)32h3142228H1516H212H3b1412
MFCD04001853
O=C1CC(C)(C)CC2=C1C(C=Cc1ccccc1(N+)(=O)(O))Nc1c2c2ccccc2cc1
ZINC000018196657
ZINC000018196660
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