Vitas-M small molecule compound
({[(Z)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methylidene]amino}oxy)(3,5-dinitrophenyl)methanone
Catalog ID
STK735504
SMILES COc1cc(ccc1OC)/C(=N/OC(=O)c1cc(cc(c1)[N+](=O)[O-])[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 C27H22N4O10 MW 562.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O10/c1-37-21-6-5-16(12-22(21)38-2)25(26-20-14-24(40-4)23(39-3)11-15(20)7-8-28-26)29-41-27(32)17-9-18(30(33)34)13-19(10-17)31(35)36/h5-14H,1-4H3/b29-25-InChIKey
KAEANWWHWVCHAZ-GNVQSUKOSA-NSynonyms
((((Z)(67dimethoxyisoquinolin1yl)(34dimethoxyphenyl)methylidene)amino)oxy)(35dinitrophenyl)methanone
((Z)((67dimethoxyisoquinolin1yl)(34dimethoxyphenyl)methylidene)amino)35dinitrobenzoate
(Z)(67dimethoxyisoquinolin1yl)(34dimethoxyphenyl)methanoneO(35dinitrobenzoyl)oxime
COC1=C(C=C(C=C1)C(=NOC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))(N+)(=O)(O))C3=NC=CC4=CC(=C(C=C43)OC)OC)OC
COc1cc(ccc1OC)C(=NOC(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))c1nccc2c1cc(OC)c(c2)OC
InChI=1SC27H22N4O10c137216516(1222(21)382)25(26201424(404)23(393)1115(20)782826)294127(32)17918(30(33)34)1319(1017)31(35)36h514H14H3b2925
MFCD04032607
ZINC000102676799
ZINC102676798
Check stock
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Check stock on Vitas-MAvailable files
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