Vitas-M small molecule compound
2,2-dimethyl-5-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Catalog ID
STK374546
SMILES CN1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C1Nc2ccc3c(c2C2=C1C(=O)CC(C2)(C)C)cccc3
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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 C30H32N4O3 MW 496.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N4O3/c1-30(2)17-22-27-21-7-5-4-6-19(21)8-10-23(27)31-29(28(22)26(35)18-30)20-9-11-24(25(16-20)34(36)37)33-14-12-32(3)13-15-33/h4-11,16,29,31H,12-15,17-18H2,1-3H3InChIKey
OZPHOUWOQGNFCA-UHFFFAOYSA-NSynonyms
22dimethyl5(4(4methylpiperazin1yl)3nitrophenyl)1356tetrahydrobenzo(a)phenanthridin4one
22dimethyl5(4(4methylpiperazin1yl)3nitrophenyl)2356tetrahydrobenzo(a)phenanthridin4(1H)one
CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=C(C=C5)N6CCN(CC6)C)(N+)(=O)(O))C(=O)C1)C
CN1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C1Nc2ccc3c(c2C2=C1C(=O)CC(C2)(C)C)cccc3
InChI=1SC30H32N4O3c130(2)17222721754619(21)81023(27)3129(28(22)26(35)1830)2091124(25(1620)34(36)37)33141232(3)131533h411162931H12151718H213H3
MFCD01035969
ZINC000004044900
ZINC000004044904
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