Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-bromo-5-ethoxy-4-[(4-methylbenzyl)oxy]phenyl}methylidene]-5-[(phenylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STK547481
SMILES CCOc1cc(/C=N/NC(=O)c2nnn(c2CNc2ccccc2)c2nonc2N)cc(c1OCc1ccc(cc1)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 C29H28BrN9O4 MW 646.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28BrN9O4/c1-3-41-24-14-20(13-22(30)26(24)42-17-19-11-9-18(2)10-12-19)15-33-35-29(40)25-23(16-32-21-7-5-4-6-8-21)39(38-34-25)28-27(31)36-43-37-28/h4-15,32H,3,16-17H2,1-2H3,(H2,31,36)(H,35,40)/b33-15+InChIKey
DRZWLDWKQTZUDJ-ROPCREHHSA-NSynonyms
(E)1(4amino125oxadiazol3yl)N(3bromo5ethoxy4((4methylbenzyl)oxy)benzylidene)5((phenylamino)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(anilinomethyl)N((E)(3bromo5ethoxy4((4methylphenyl)methoxy)phenyl)methylideneamino)triazole4carboxamide
1(4amino125oxadiazol3yl)N((E)(3bromo5ethoxy4((4methylbenzyl)oxy)phenyl)methylidene)5((phenylamino)methyl)1H123triazole4carbohydrazide
CCOC1=C(C(=CC(=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CNC4=CC=CC=C4)Br)OCC5=CC=C(C=C5)C
CCOc1cc(C=NNC(=O)c2nnn(c2CNc2ccccc2)c2nonc2N)cc(c1OCc1ccc(cc1)C)Br
InChI=1SC29H28BrN9O4c1341241420(1322(30)26(24)42171911918(2)101219)15333529(40)2523(1632217546821)39(383425)2827(31)36433728h41532H31617H212H3(H23136)(H3540)b3315+
MFCD03339816
ZINC000097966640
ZINC150597629
Check stock
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Check stock on Vitas-MAvailable files
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