Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-bromo-4-[(2-fluorobenzyl)oxy]-5-methoxyphenyl}methylidene]-5-[(phenylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STK548746
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2CNc2ccccc2)c2nonc2N)cc(c1OCc1ccccc1F)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 C27H23BrFN9O4 MW 636.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23BrFN9O4/c1-40-22-12-16(11-19(28)24(22)41-15-17-7-5-6-10-20(17)29)13-32-34-27(39)23-21(14-31-18-8-3-2-4-9-18)38(37-33-23)26-25(30)35-42-36-26/h2-13,31H,14-15H2,1H3,(H2,30,35)(H,34,39)/b32-13+InChIKey
KXOURDBGHMNCLW-JJKQSNDFSA-NSynonyms
(E)1(4amino125oxadiazol3yl)N(3bromo4((2fluorobenzyl)oxy)5methoxybenzylidene)5((phenylamino)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(anilinomethyl)N((E)(3bromo4((2fluorophenyl)methoxy)5methoxyphenyl)methylideneamino)triazole4carboxamide
1(4amino125oxadiazol3yl)N((E)(3bromo4((2fluorobenzyl)oxy)5methoxyphenyl)methylidene)5((phenylamino)methyl)1H123triazole4carbohydrazide
COC1=C(C(=CC(=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CNC4=CC=CC=C4)Br)OCC5=CC=CC=C5F
COc1cc(C=NNC(=O)c2nnn(c2CNc2ccccc2)c2nonc2N)cc(c1OCc1ccccc1F)Br
InChI=1SC27H23BrFN9O4c140221216(1119(28)24(22)4115177561020(17)29)13323427(39)2321(1431188324918)38(373323)2625(30)35423626h21331H1415H21H3(H23035)(H3439)b3213+
MFCD03339759
ZINC000097966668
ZINC150573445
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