Vitas-M small molecule compound

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

Catalog ID
STK545394
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2CN2CCCCC2)c2nonc2N)ccc1OCc1ccc(cc1Cl)F

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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 C26H27ClFN9O4 MW 584.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27ClFN9O4/c1-39-22-11-16(5-8-21(22)40-15-17-6-7-18(28)12-19(17)27)13-30-32-26(38)23-20(14-36-9-3-2-4-10-36)37(35-31-23)25-24(29)33-41-34-25/h5-8,11-13H,2-4,9-10,14-15H2,1H3,(H2,29,33)(H,32,38)/b30-13+
InChIKey
MGCSKACWCKLSQU-VVEOGCPPSA-N
Synonyms

(E)1(4amino125oxadiazol3yl)N(4((2chloro4fluorobenzyl)oxy)3methoxybenzylidene)5(piperidin1ylmethyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(4((2chloro4fluorobenzyl)oxy)3methoxyphenyl)methylidene)5(piperidin1ylmethyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(4((2chloro4fluorophenyl)methoxy)3methoxyphenyl)methylideneamino)5(piperidin1ylmethyl)triazole4carboxamide
COC1=C(C=CC(=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN4CCCCC4)OCC5=C(C=C(C=C5)F)Cl
COc1cc(C=NNC(=O)c2nnn(c2CN2CCCCC2)c2nonc2N)ccc1OCc1ccc(cc1Cl)F
InChI=1SC26H27ClFN9O4c139221116(5821(22)4015176718(28)1219(17)27)13303226(38)2320(143693241036)37(353123)2524(29)33413425h581113H249101415H21H3(H22933)(H3238)b3013+
MFCD03302726
ZINC000097966598
ZINC102441315

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Available files

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