Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-ethoxy-4-[(2-methylbenzyl)oxy]phenyl}methylidene]-5-[(4-methylpiperidin-1-yl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STK548517
SMILES CCOc1cc(/C=N/NC(=O)c2nnn(c2CN2CCC(CC2)C)c2nonc2N)ccc1OCc1ccccc1C
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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 C29H35N9O4 MW 573.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35N9O4/c1-4-40-25-15-21(9-10-24(25)41-18-22-8-6-5-7-20(22)3)16-31-33-29(39)26-23(17-37-13-11-19(2)12-14-37)38(36-32-26)28-27(30)34-42-35-28/h5-10,15-16,19H,4,11-14,17-18H2,1-3H3,(H2,30,34)(H,33,39)/b31-16+InChIKey
WEXHXOMBQBSHIL-WCMJOSRZSA-NSynonyms
(E)1(4amino125oxadiazol3yl)N(3ethoxy4((2methylbenzyl)oxy)benzylidene)5((4methylpiperidin1yl)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(3ethoxy4((2methylbenzyl)oxy)phenyl)methylidene)5((4methylpiperidin1yl)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(3ethoxy4((2methylphenyl)methoxy)phenyl)methylideneamino)5((4methylpiperidin1yl)methyl)triazole4carboxamide
CCOC1=C(C=CC(=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN4CCC(CC4)C)OCC5=CC=CC=C5C
CCOc1cc(C=NNC(=O)c2nnn(c2CN2CCC(CC2)C)c2nonc2N)ccc1OCc1ccccc1C
InChI=1SC29H35N9O4c1440251521(91024(25)411822865720(22)3)16313329(39)2623(1737131119(2)121437)38(363226)2827(30)34423528h510151619H411141718H213H3(H23034)(H3339)b3116+
MFCD03297367
ZINC000097966661
ZINC102450945
Check stock
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Check stock on Vitas-MAvailable files
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