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-(piperidin-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STK562510
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2CN2CCCCC2)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 C27H30BrN9O4 MW 624.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30BrN9O4/c1-17-7-6-8-18(11-17)16-40-24-20(28)12-19(13-22(24)39-2)14-30-32-27(38)23-21(15-36-9-4-3-5-10-36)37(35-31-23)26-25(29)33-41-34-26/h6-8,11-14H,3-5,9-10,15-16H2,1-2H3,(H2,29,33)(H,32,38)/b30-14+InChIKey
WDWJSSHHMGLJOL-AMVVHIIESA-NSynonyms
(E)1(4amino125oxadiazol3yl)N(3bromo5methoxy4((3methylbenzyl)oxy)benzylidene)5(piperidin1ylmethyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(3bromo5methoxy4((3methylbenzyl)oxy)phenyl)methylidene)5(piperidin1ylmethyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(3bromo5methoxy4((3methylphenyl)methoxy)phenyl)methylideneamino)5(piperidin1ylmethyl)triazole4carboxamide
CC1=CC(=CC=C1)COC2=C(C=C(C=C2Br)C=NNC(=O)C3=C(N(N=N3)C4=NON=C4N)CN5CCCCC5)OC
COc1cc(C=NNC(=O)c2nnn(c2CN2CCCCC2)c2nonc2N)cc(c1OCc1cccc(c1)C)Br
InChI=1SC27H30BrN9O4c11776818(1117)16402420(28)1219(1322(24)392)14303227(38)2321(153694351036)37(353123)2625(29)33413426h681114H359101516H212H3(H22933)(H3238)b3014+
MFCD03291848
ZINC000097966959
ZINC102513073
Check stock
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Check stock on Vitas-MAvailable files
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