Vitas-M small molecule compound

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

Catalog ID
STK550173
SMILES Clc1ccc(c(c1)/C=N/NC(=O)c1nnn(c1c1cccc(c1)[N+](=O)[O-])c1nonc1N)OCc1c(F)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 C25H16Cl2FN9O5 MW 612.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16Cl2FN9O5/c26-15-7-8-20(41-12-17-18(27)5-2-6-19(17)28)14(9-15)11-30-32-25(38)21-22(13-3-1-4-16(10-13)37(39)40)36(35-31-21)24-23(29)33-42-34-24/h1-11H,12H2,(H2,29,33)(H,32,38)/b30-11+
InChIKey
XWYDMFMMESKKCV-KNBZMSCYSA-N
Synonyms

(E)1(4amino125oxadiazol3yl)N(5chloro2((2chloro6fluorobenzyl)oxy)benzylidene)5(3nitrophenyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(5chloro2((2chloro6fluorobenzyl)oxy)phenyl)methylidene)5(3nitrophenyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(5chloro2((2chloro6fluorophenyl)methoxy)phenyl)methylideneamino)5(3nitrophenyl)triazole4carboxamide
C1=CC(=CC(=C1)(N+)(=O)(O))C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=C(C=CC(=C4)Cl)OCC5=C(C=CC=C5Cl)F
Clc1ccc(c(c1)C=NNC(=O)c1nnn(c1c1cccc(c1)(N+)(=O)(O))c1nonc1N)OCc1c(F)cccc1Cl
InChI=1SC25H16Cl2FN9O5c26157820(41121718(27)52619(17)28)14(915)11303225(38)2122(1331416(1013)37(39)40)36(353121)2423(29)33423424h111H12H2(H22933)(H3238)b3011+
MFCD03339097
ZINC000102455462
ZINC102455459

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Available files

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