Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-bromo-5-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}methylidene]-5-(piperidin-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STK545753
SMILES CCOc1cc(/C=N/NC(=O)c2nnn(c2CN2CCCCC2)c2nonc2N)cc(c1OCc1ccc(cc1)F)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 C27H29BrFN9O4 MW 642.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29BrFN9O4/c1-2-40-22-13-18(12-20(28)24(22)41-16-17-6-8-19(29)9-7-17)14-31-33-27(39)23-21(15-37-10-4-3-5-11-37)38(36-32-23)26-25(30)34-42-35-26/h6-9,12-14H,2-5,10-11,15-16H2,1H3,(H2,30,34)(H,33,39)/b31-14+
InChIKey
JKUZUMQAVPXYSR-XAZZYMPDSA-N
Synonyms

(E)1(4amino125oxadiazol3yl)N(3bromo5ethoxy4((4fluorobenzyl)oxy)benzylidene)5(piperidin1ylmethyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(3bromo5ethoxy4((4fluorobenzyl)oxy)phenyl)methylidene)5(piperidin1ylmethyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(3bromo5ethoxy4((4fluorophenyl)methoxy)phenyl)methylideneamino)5(piperidin1ylmethyl)triazole4carboxamide
CCOC1=C(C(=CC(=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN4CCCCC4)Br)OCC5=CC=C(C=C5)F
CCOc1cc(C=NNC(=O)c2nnn(c2CN2CCCCC2)c2nonc2N)cc(c1OCc1ccc(cc1)F)Br
InChI=1SC27H29BrFN9O4c1240221318(1220(28)24(22)4116176819(29)9717)14313327(39)2321(1537104351137)38(363223)2625(30)34423526h691214H2510111516H21H3(H23034)(H3339)b3114+
MFCD03322169
ZINC000097966609
ZINC150633729

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Available files

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