Vitas-M small molecule compound

methyl 4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]benzoate

Catalog ID
STL002995
SMILES COC(=O)c1ccc(cc1)/C=N/NC(=O)c1nnn(c1c1ccc2c(c1)OCO2)c1nonc1N

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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 C21H16N8O6 MW 476.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N8O6/c1-32-21(31)12-4-2-11(3-5-12)9-23-25-20(30)16-17(13-6-7-14-15(8-13)34-10-33-14)29(28-24-16)19-18(22)26-35-27-19/h2-9H,10H2,1H3,(H2,22,26)(H,25,30)/b23-9+
InChIKey
VGGWTYSNJCVMDQ-NUGSKGIGSA-N
Synonyms
861637-86-7
(E)methyl4((2(1(4amino125oxadiazol3yl)5(benzo(d)(13)dioxol5yl)1H123triazole4carbonyl)hydrazono)methyl)benzoate
861637867
COC(=O)C1=CC=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC5=C(C=C4)OCO5
COC(=O)c1ccc(cc1)C=NNC(=O)c1nnn(c1c1ccc2c(c1)OCO2)c1nonc1N
InChI=1SC21H16N8O6c13221(31)124211(3512)9232520(30)1617(13671415(813)34103314)29(282416)1918(22)26352719h29H10H21H3(H22226)(H2530)b239+
methyl4((E)((1(4amino125oxadiazol3yl)5(13benzodioxol5yl)triazole4carbonyl)hydrazinylidene)methyl)benzoate
methyl4((E)(2((1(4amino125oxadiazol3yl)5(13benzodioxol5yl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)benzoate
MFCD05685519
ZINC000009014250
ZINC97494878

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Available files

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