Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-bromo-5-methoxy-4-[(3-methylbenzyl)oxy]phenyl}methylidene]-5-[(phenylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STK546929
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2CNc2ccccc2)c2nonc2N)cc(c1OCc1cccc(c1)C)Br
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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 C28H26BrN9O4 MW 632.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26BrN9O4/c1-17-7-6-8-18(11-17)16-41-25-21(29)12-19(13-23(25)40-2)14-32-34-28(39)24-22(15-31-20-9-4-3-5-10-20)38(37-33-24)27-26(30)35-42-36-27/h3-14,31H,15-16H2,1-2H3,(H2,30,35)(H,34,39)/b32-14+InChIKey
BUEAWPGEWCNZLE-HIWRWHBISA-NSynonyms
(E)1(4amino125oxadiazol3yl)N(3bromo5methoxy4((3methylbenzyl)oxy)benzylidene)5((phenylamino)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(anilinomethyl)N((E)(3bromo5methoxy4((3methylphenyl)methoxy)phenyl)methylideneamino)triazole4carboxamide
1(4amino125oxadiazol3yl)N((E)(3bromo5methoxy4((3methylbenzyl)oxy)phenyl)methylidene)5((phenylamino)methyl)1H123triazole4carbohydrazide
CC1=CC(=CC=C1)COC2=C(C=C(C=C2Br)C=NNC(=O)C3=C(N(N=N3)C4=NON=C4N)CNC5=CC=CC=C5)OC
COc1cc(C=NNC(=O)c2nnn(c2CNc2ccccc2)c2nonc2N)cc(c1OCc1cccc(c1)C)Br
InChI=1SC28H26BrN9O4c11776818(1117)16412521(29)1219(1323(25)402)14323428(39)2422(15312094351020)38(373324)2726(30)35423627h31431H1516H212H3(H23035)(H3439)b3214+
MFCD03339801
ZINC000097966628
ZINC150589467
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.