Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl}methylidene]-5-[(phenylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STK546844
SMILES COc1ccc(cc1COc1c(Cl)cc(cc1Cl)Cl)/C=N/NC(=O)c1nnn(c1CNc1ccccc1)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 C27H22Cl3N9O4 MW 642.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22Cl3N9O4/c1-41-22-8-7-15(9-16(22)14-42-24-19(29)10-17(28)11-20(24)30)12-33-35-27(40)23-21(13-32-18-5-3-2-4-6-18)39(38-34-23)26-25(31)36-43-37-26/h2-12,32H,13-14H2,1H3,(H2,31,36)(H,35,40)/b33-12+InChIKey
CQFWYTUEGONIDY-RVDKCFQWSA-NSynonyms
(E)1(4amino125oxadiazol3yl)N(4methoxy3((246trichlorophenoxy)methyl)benzylidene)5((phenylamino)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(anilinomethyl)N((E)(4methoxy3((246trichlorophenoxy)methyl)phenyl)methylideneamino)triazole4carboxamide
1(4amino125oxadiazol3yl)N((E)(4methoxy3((246trichlorophenoxy)methyl)phenyl)methylidene)5((phenylamino)methyl)1H123triazole4carbohydrazide
COC1=C(C=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CNC4=CC=CC=C4)COC5=C(C=C(C=C5Cl)Cl)Cl
COc1ccc(cc1COc1c(Cl)cc(cc1Cl)Cl)C=NNC(=O)c1nnn(c1CNc1ccccc1)c1nonc1N
InChI=1SC27H22Cl3N9O4c141228715(916(22)14422419(29)1017(28)1120(24)30)12333527(40)2321(1332185324618)39(383423)2625(31)36433726h21232H1314H21H3(H23136)(H3540)b3312+
MFCD03339916
ZINC000097966627
ZINC150573478
Check stock
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Check stock on Vitas-MAvailable files
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