Vitas-M small molecule compound

(1,3-dioxopropane-1,3-diyl)bis[(1E)hydrazin-2-yl-1-ylidene(E)methylylidene-2-nitrobenzene-4,1-diyl] bis(4-methoxybenzoate)

Catalog ID
STK670975
SMILES COc1ccc(cc1)C(=O)Oc1ccc(cc1[N+](=O)[O-])/C=N/NC(=O)CC(=O)N/N=C/c1ccc(c(c1)[N+](=O)[O-])OC(=O)c1ccc(cc1)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 C33H26N6O12 MW 698.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H26N6O12/c1-48-24-9-5-22(6-10-24)32(42)50-28-13-3-20(15-26(28)38(44)45)18-34-36-30(40)17-31(41)37-35-19-21-4-14-29(27(16-21)39(46)47)51-33(43)23-7-11-25(49-2)12-8-23/h3-16,18-19H,17H2,1-2H3,(H,36,40)(H,37,41)/b34-18+,35-19+
InChIKey
JUXLKKPHHOBCSB-WKCPDWHCSA-N
Synonyms

(13dioxopropane13diyl)bis((1E)hydrazin2yl1ylidene(E)methylylidene2nitrobenzene41diyl)bis(4methoxybenzoate)
(4((E)((3((2E)2((4(4methoxybenzoyl)oxy3nitrophenyl)methylidene)hydrazinyl)3oxopropanoyl)hydrazinylidene)methyl)2nitrophenyl)4methoxybenzoate
COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=O)CC(=O)NN=CC3=CC(=C(C=C3)OC(=O)C4=CC=C(C=C4)OC)(N+)(=O)(O))(N+)(=O)(O)
COc1ccc(cc1)C(=O)Oc1ccc(cc1(N+)(=O)(O))C=NNC(=O)CC(=O)NN=Cc1ccc(c(c1)(N+)(=O)(O))OC(=O)c1ccc(cc1)OC
InChI=1SC33H26N6O12c148249522(61024)32(42)502813320(1526(28)38(44)45)18343630(40)1731(41)3735192141429(27(1621)39(46)47)5133(43)2371125(492)12823h3161819H17H212H3(H3640)(H3741)b3418+3519+
MFCD00746826
ZINC000150351192
ZINC150642984

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Available files

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