Vitas-M small molecule compound

2,2-dimethyl-5-{3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one

Catalog ID
STK674017
SMILES O=C1CC(C)(C)CC2=C1C(Nc1c2c2ccccc2cc1)c1cccc(c1)Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F

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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 C32H25F3N2O4 MW 558.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H25F3N2O4/c1-31(2)16-23-28-22-9-4-3-6-18(22)10-12-24(28)36-30(29(23)26(38)17-31)19-7-5-8-21(14-19)41-27-13-11-20(32(33,34)35)15-25(27)37(39)40/h3-15,30,36H,16-17H2,1-2H3
InChIKey
PRKYDFWWPOZPJV-UHFFFAOYSA-N
Synonyms

22dimethyl5(3(2nitro4(trifluoromethyl)phenoxy)phenyl)1356tetrahydrobenzo(a)phenanthridin4one
22dimethyl5(3(2nitro4(trifluoromethyl)phenoxy)phenyl)2356tetrahydrobenzo(a)phenanthridin4(1H)one
CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=CC=C5)OC6=C(C=C(C=C6)C(F)(F)F)(N+)(=O)(O))C(=O)C1)C
InChI=1SC32H25F3N2O4c131(2)16232822943618(22)101224(28)3630(29(23)26(38)1731)1975821(1419)4127131120(32(3334)35)1525(27)37(39)40h3153036H1617H212H3
MFCD01160792
O=C1CC(C)(C)CC2=C1C(Nc1c2c2ccccc2cc1)c1cccc(c1)Oc1ccc(cc1(N+)(=O)(O))C(F)(F)F
ZINC000002915044
ZINC000002915045

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Available files

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