Vitas-M small molecule compound
2-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-nitrophenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-4-bromophenyl benzoate
Catalog ID
STK549037
SMILES Brc1ccc(c(c1)/C=N/NC(=O)c1nnn(c1c1cccc(c1)[N+](=O)[O-])c1nonc1N)OC(=O)c1ccccc1
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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 C25H16BrN9O6 MW 618.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16BrN9O6/c26-17-9-10-19(40-25(37)14-5-2-1-3-6-14)16(11-17)13-28-30-24(36)20-21(15-7-4-8-18(12-15)35(38)39)34(33-29-20)23-22(27)31-41-32-23/h1-13H,(H2,27,31)(H,30,36)/b28-13+InChIKey
HGTCIWCKAITYQG-XODNFHPESA-NSynonyms
(2((E)((1(4amino125oxadiazol3yl)5(3nitrophenyl)triazole4carbonyl)hydrazinylidene)methyl)4bromophenyl)benzoate
(E)2((2(1(4amino125oxadiazol3yl)5(3nitrophenyl)1H123triazole4carbonyl)hydrazono)methyl)4bromophenylbenzoate
2((E)(2((1(4amino125oxadiazol3yl)5(3nitrophenyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)4bromophenylbenzoate
Brc1ccc(c(c1)C=NNC(=O)c1nnn(c1c1cccc(c1)(N+)(=O)(O))c1nonc1N)OC(=O)c1ccccc1
C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=O)C3=C(N(N=N3)C4=NON=C4N)C5=CC(=CC=C5)(N+)(=O)(O)
InChI=1SC25H16BrN9O6c261791019(4025(37)145213614)16(1117)13283024(36)2021(1574818(1215)35(38)39)34(332920)2322(27)31413223h113H(H22731)(H3036)b2813+
MFCD03338973
ZINC000150411100
ZINC150606355
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