Vitas-M small molecule compound
2-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylamino)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}-4-bromophenyl benzoate
Catalog ID
STK560565
SMILES Brc1ccc(c(c1)/C=N/NC(=O)c1nnn(c1CNc1ccccc1)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 C26H20BrN9O4 MW 602.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20BrN9O4/c27-18-11-12-21(39-26(38)16-7-3-1-4-8-16)17(13-18)14-30-32-25(37)22-20(15-29-19-9-5-2-6-10-19)36(35-31-22)24-23(28)33-40-34-24/h1-14,29H,15H2,(H2,28,33)(H,32,37)/b30-14+InChIKey
XROQVACCGIYCIU-AMVVHIIESA-NSynonyms
(2((E)((1(4amino125oxadiazol3yl)5(anilinomethyl)triazole4carbonyl)hydrazinylidene)methyl)4bromophenyl)benzoate
(E)2((2(1(4amino125oxadiazol3yl)5((phenylamino)methyl)1H123triazole4carbonyl)hydrazono)methyl)4bromophenylbenzoate
2((E)(2((1(4amino125oxadiazol3yl)5((phenylamino)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)4bromophenylbenzoate
Brc1ccc(c(c1)C=NNC(=O)c1nnn(c1CNc1ccccc1)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)CNC5=CC=CC=C5
InChI=1SC26H20BrN9O4c2718111221(3926(38)167314816)17(1318)14303225(37)2220(15291995261019)36(353122)2423(28)33403424h11429H15H2(H22833)(H3237)b3014+
MFCD03339755
ZINC000097966833
ZINC102497075
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