Vitas-M small molecule compound

tert-butyl (2E)-2-(3-methoxy-4-{[(4-nitrophenyl)carbonyl]oxy}benzylidene)hydrazinecarboxylate

Catalog ID
STK200043
SMILES COc1cc(/C=N/NC(=O)OC(C)(C)C)ccc1OC(=O)c1ccc(cc1)[N+](=O)[O-]

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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 C20H21N3O7 MW 415.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O7/c1-20(2,3)30-19(25)22-21-12-13-5-10-16(17(11-13)28-4)29-18(24)14-6-8-15(9-7-14)23(26)27/h5-12H,1-4H3,(H,22,25)/b21-12+
InChIKey
KEMWAMBUYVHVSR-CIAFOILYSA-N
Synonyms

(2methoxy4((E)((2methylpropan2yl)oxycarbonylhydrazinylidene)methyl)phenyl)4nitrobenzoate
CC(C)(C)OC(=O)NN=CC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)(N+)(=O)(O))OC
COc1cc(C=NNC(=O)OC(C)(C)C)ccc1OC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC20H21N3O7c120(23)3019(25)2221121351016(17(1113)284)2918(24)146815(9714)23(26)27h512H14H3(H2225)b2112+
MFCD02820122
tertbutyl(2E)2(3methoxy4(((4nitrophenyl)carbonyl)oxy)benzylidene)hydrazinecarboxylate
ZINC000012364040
ZINC96868531

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Available files

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