Vitas-M small molecule compound
5-{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Catalog ID
STK673687
SMILES COc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)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 C33H27F3N2O5 MW 588.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H27F3N2O5/c1-32(2)16-22-29-21-7-5-4-6-18(21)8-11-23(29)37-31(30(22)25(39)17-32)19-9-12-27(28(14-19)42-3)43-26-13-10-20(33(34,35)36)15-24(26)38(40)41/h4-15,31,37H,16-17H2,1-3H3InChIKey
RAGIHZKBHTUTIA-UHFFFAOYSA-NSynonyms
5(3methoxy4(2nitro4(trifluoromethyl)phenoxy)phenyl)22dimethyl1356tetrahydrobenzo(a)phenanthridin4one
5(3methoxy4(2nitro4(trifluoromethyl)phenoxy)phenyl)22dimethyl2356tetrahydrobenzo(a)phenanthridin4(1H)one
CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=C(C=C5)OC6=C(C=C(C=C6)C(F)(F)F)(N+)(=O)(O))OC)C(=O)C1)C
COc1cc(ccc1Oc1ccc(cc1(N+)(=O)(O))C(F)(F)F)C1Nc2ccc3c(c2C2=C1C(=O)CC(C2)(C)C)cccc3
InChI=1SC33H27F3N2O5c132(2)16222921754618(21)81123(29)3731(30(22)25(39)1732)1991227(28(1419)423)4326131020(33(3435)36)1524(26)38(40)41h4153137H1617H213H3
MFCD01066160
ZINC000002909846
ZINC000002909848
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