Vitas-M small molecule compound

({[(E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methylidene]amino}oxy)(4-nitrophenyl)methanone

Catalog ID
STK794588
SMILES COc1cc(ccc1OC)/C(=N\OC(=O)c1ccc(cc1)[N+](=O)[O-])/c1nccc2c1cc(OC)c(c2)OC

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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 C27H23N3O8 MW 517.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O8/c1-34-21-10-7-18(14-22(21)35-2)25(29-38-27(31)16-5-8-19(9-6-16)30(32)33)26-20-15-24(37-4)23(36-3)13-17(20)11-12-28-26/h5-15H,1-4H3/b29-25+
InChIKey
AJPTWUPZGHITLE-XLVZBRSZSA-N
Synonyms

((((E)(67dimethoxyisoquinolin1yl)(34dimethoxyphenyl)methylidene)amino)oxy)(4nitrophenyl)methanone
((E)((67DIMETHOXYISOQUINOLIN1YL)(34DIMETHOXYPHENYL)METHYLIDENE)AMINO)4NITROBENZOATE
(Z)(67dimethoxyisoquinolin1yl)(34dimethoxyphenyl)methanoneO(4nitrobenzoyl)oxime
COC1=C(C=C(C=C1)C(=NOC(=O)C2=CC=C(C=C2)(N+)(=O)(O))C3=NC=CC4=CC(=C(C=C43)OC)OC)OC
COc1cc(ccc1OC)C(=NOC(=O)c1ccc(cc1)(N+)(=O)(O))c1nccc2c1cc(OC)c(c2)OC
InChI=1SC27H23N3O8c1342110718(1422(21)352)25(293827(31)165819(9616)30(32)33)26201524(374)23(363)1317(20)11122826h515H14H3b2925+
MFCD13372481
ZINC000033296843
ZINC01067783
ZINC1067783

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Available files

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