Vitas-M small molecule compound
5-(2-hydroxy-3,5-dinitrophenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Catalog ID
STK674699
SMILES O=C1CC(C)(C)CC2=C1C(Nc1c2c2ccccc2cc1)c1cc(cc(c1O)[N+](=O)[O-])[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 C25H21N3O6 MW 459.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O6/c1-25(2)11-17-21-15-6-4-3-5-13(15)7-8-18(21)26-23(22(17)20(29)12-25)16-9-14(27(31)32)10-19(24(16)30)28(33)34/h3-10,23,26,30H,11-12H2,1-2H3InChIKey
ZTYLSXLXWOFNCZ-UHFFFAOYSA-NSynonyms
5(2hydroxy35dinitrophenyl)22dimethyl1356tetrahydrobenzo(a)phenanthridin4one
5(2hydroxy35dinitrophenyl)22dimethyl2356tetrahydrobenzo(a)phenanthridin4(1H)one
CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=CC(=C5O)(N+)(=O)(O))(N+)(=O)(O))C(=O)C1)C
InChI=1SC25H21N3O6c125(2)11172115643513(15)7818(21)2623(22(17)20(29)1225)16914(27(31)32)1019(24(16)30)28(33)34h310232630H1112H212H3
MFCD00637703
O=C1CC(C)(C)CC2=C1C(Nc1c2c2ccccc2cc1)c1cc(cc(c1O)(N+)(=O)(O))(N+)(=O)(O)
ZINC000002067167
ZINC000002067168
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