Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{5-chloro-2-[(2,6-dichlorobenzyl)oxy]phenyl}methylidene]-5-[(4-methylpiperidin-1-yl)methyl]-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STL148660
SMILES CC1CCN(CC1)Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl

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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 C26H26Cl3N9O3 MW 618.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26Cl3N9O3/c1-15-7-9-37(10-8-15)13-21-23(32-36-38(21)25-24(30)34-41-35-25)26(39)33-31-12-16-11-17(27)5-6-22(16)40-14-18-19(28)3-2-4-20(18)29/h2-6,11-12,15H,7-10,13-14H2,1H3,(H2,30,34)(H,33,39)/b31-12+
InChIKey
DYGCDYMIFKQTMQ-KLPHOBTLSA-N
Synonyms

(E)1(4amino125oxadiazol3yl)N(5chloro2((26dichlorobenzyl)oxy)benzylidene)5((4methylpiperidin1yl)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(5chloro2((26dichlorobenzyl)oxy)phenyl)methylidene)5((4methylpiperidin1yl)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(5chloro2((26dichlorophenyl)methoxy)phenyl)methylideneamino)5((4methylpiperidin1yl)methyl)triazole4carboxamide
CC1CCN(CC1)Cc1c(nnn1c1nonc1N)C(=O)NN=Cc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl
CC1CCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=C(C=CC(=C4)Cl)OCC5=C(C=CC=C5Cl)Cl
InChI=1SC26H26Cl3N9O3c1157937(10815)132123(323638(21)2524(30)34413525)26(39)333112161117(27)5622(16)40141819(28)32420(18)29h26111215H7101314H21H3(H23034)(H3339)b3112+
MFCD03295562
ZINC000097970956
ZINC103223133

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Available files

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