Vitas-M small molecule compound

N'-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzohydrazide

Catalog ID
STL384237
SMILES O=C(c1cccc(c1)Cn1nc(cc1C)[N+](=O)[O-])N/N=C/c1cc2OCOc2cc1Br

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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 C20H16BrN5O5 MW 486.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrN5O5/c1-12-5-19(26(28)29)24-25(12)10-13-3-2-4-14(6-13)20(27)23-22-9-15-7-17-18(8-16(15)21)31-11-30-17/h2-9H,10-11H2,1H3,(H,23,27)/b22-9+
InChIKey
NOBUUYWHNQWXHC-LSFURLLWSA-N
Synonyms
514217-79-9
514217799
CC1=CC(=NN1CC2=CC=CC(=C2)C(=O)NN=CC3=CC4=C(C=C3Br)OCO4)(N+)(=O)(O)
InChI=1SC20H16BrN5O5c112519(26(28)29)2425(12)101332414(613)20(27)232291571718(816(15)21)31113017h29H1011H21H3(H2327)b229+
MFCD03757136
N((6BROMO13BENZODIOXOL5YL)METHYLENE)3((3NITRO5METHYL1HPYRAZOL1YL)METHYL)BENZOHYDRAZIDE
N((E)(6bromo13benzodioxol5yl)methylidene)3((5methyl3nitro1Hpyrazol1yl)methyl)benzohydrazide
N((E)(6BROMO13BENZODIOXOL5YL)METHYLIDENEAMINO)3((5METHYL3NITROPYRAZOL1YL)METHYL)BENZAMIDE
O=C(c1cccc(c1)Cn1nc(cc1C)(N+)(=O)(O))NN=Cc1cc2OCOc2cc1Br
ZINC000000695514
ZINC33335386

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Available files

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