Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methoxyphenyl}methylidene]-5-phenyl-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STK548529
SMILES COc1ccc(cc1COc1cc(C)c(c(c1)C)Cl)/C=N/NC(=O)c1nnn(c1c1ccccc1)c1nonc1N

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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 C28H25ClN8O4 MW 573.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25ClN8O4/c1-16-11-21(12-17(2)23(16)29)40-15-20-13-18(9-10-22(20)39-3)14-31-33-28(38)24-25(19-7-5-4-6-8-19)37(36-32-24)27-26(30)34-41-35-27/h4-14H,15H2,1-3H3,(H2,30,34)(H,33,38)/b31-14+
InChIKey
NKTHEASQSGSWFH-XAZZYMPDSA-N
Synonyms

(E)1(4amino125oxadiazol3yl)N(3((4chloro35dimethylphenoxy)methyl)4methoxybenzylidene)5phenyl1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(3((4chloro35dimethylphenoxy)methyl)4methoxyphenyl)methylidene)5phenyl1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(3((4chloro35dimethylphenoxy)methyl)4methoxyphenyl)methylideneamino)5phenyltriazole4carboxamide
CC1=CC(=CC(=C1Cl)C)OCC2=C(C=CC(=C2)C=NNC(=O)C3=C(N(N=N3)C4=NON=C4N)C5=CC=CC=C5)OC
COc1ccc(cc1COc1cc(C)c(c(c1)C)Cl)C=NNC(=O)c1nnn(c1c1ccccc1)c1nonc1N
InChI=1SC28H25ClN8O4c1161121(1217(2)23(16)29)4015201318(91022(20)393)14313328(38)2425(197546819)37(363224)2726(30)34413527h414H15H213H3(H23034)(H3338)b3114+
MFCD03300408
ZINC000001899444
ZINC102450984

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Available files

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