Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-bromo-3,6-dimethoxyphenyl)methylidene]-5-(methoxymethyl)-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STK949023
SMILES COCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1c(OC)ccc(c1Br)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 C16H17BrN8O5 MW 481.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17BrN8O5/c1-27-7-9-13(20-24-25(9)15-14(18)22-30-23-15)16(26)21-19-6-8-10(28-2)4-5-11(29-3)12(8)17/h4-6H,7H2,1-3H3,(H2,18,22)(H,21,26)/b19-6+
InChIKey
DSPCVPSSJMTAQU-KPSZGOFPSA-N
Synonyms

1(4amino125oxadiazol3yl)N((E)(2bromo36dimethoxyphenyl)methylidene)5(methoxymethyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(2bromo36dimethoxyphenyl)methylideneamino)5(methoxymethyl)triazole4carboxamide
COCC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=C(C=CC(=C3Br)OC)OC
COCc1c(nnn1c1nonc1N)C(=O)NN=Cc1c(OC)ccc(c1Br)OC
InChI=1SC16H17BrN8O5c1277913(202425(9)1514(18)22302315)16(26)21196810(282)4511(293)12(8)17h46H7H213H3(H21822)(H2126)b196+
MFCD01789770
N((1E)2(2BROMO36DIMETHOXYPHENYL)1AZAVINYL)(1(4AMINO(125OXADIAZOL3YL))5(METHOXYMETHYL)(123TRIAZOL4YL))CARBOXAMIDE
ZINC000002737467
ZINC83290913

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Available files

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