Vitas-M small molecule compound

2-[9,10-dimethoxy-6,6-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrido[2,1-a]isoquinolinium-4-yl]-4-nitrophenolate

Catalog ID
STL440316
SMILES COc1cc2CC(C)(C)[n+]3c(c2cc1OC)cc(cc3c1cc(ccc1[O-])[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 C24H21F3N2O5 MW 474.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21F3N2O5/c1-23(2)12-13-7-21(33-3)22(34-4)11-16(13)18-8-14(24(25,26)27)9-19(28(18)23)17-10-15(29(31)32)5-6-20(17)30/h5-11H,12H2,1-4H3
InChIKey
KSVHQBIKCUNEEK-UHFFFAOYSA-N
Synonyms

2(2(TRIFLUOROMETHYL)66DIMETHYL910DIMETHOXY67DIHYDROBENZO(A)QUINOLIZINIUM4YL)4NITROPHENOLANION
2(910dimethoxy66dimethyl2(trifluoromethyl)67dihydropyrido(21a)isoquinolinium4yl)4nitrophenolate
2(910DIMETHOXY66DIMETHYL2(TRIFLUOROMETHYL)6H7HPYRIDO(21A)ISOQUINOLINIUM4YL)4NITROBENZENOLATE
6(910DIMETHOXY66DIMETHYL2(TRIFLUOROMETHYL)7HBENZO(A)QUINOLIZIN4YLIDENE)4NITROCYCLOHEXA24DIEN1ONE
CC1(CC2=CC(=C(C=C2C3=CC(=CC(=C4C=C(C=CC4=O)(N+)(=O)(O))N31)C(F)(F)F)OC)OC)C
COc1cc2CC(C)(C)(n+)3c(c2cc1OC)cc(cc3c1cc(ccc1(O))(N+)(=O)(O))C(F)(F)F
InChI=1SC24H21F3N2O5c123(2)1213721(333)22(344)1116(13)18814(24(2526)27)919(28(18)23)171015(29(31)32)5620(17)30h511H12H214H3
MFCD06243363
ZINC000003771098
ZINC000025179576

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Available files

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