Vitas-M small molecule compound

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

Catalog ID
STL004977
SMILES CN(Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccccc1OCc1c(F)cccc1Cl)C

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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 C22H21ClFN9O3 MW 513.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClFN9O3/c1-32(2)11-17-19(27-31-33(17)21-20(25)29-36-30-21)22(34)28-26-10-13-6-3-4-9-18(13)35-12-14-15(23)7-5-8-16(14)24/h3-10H,11-12H2,1-2H3,(H2,25,29)(H,28,34)/b26-10+
InChIKey
XCXNTZIZKFTEGW-NSKAYECMSA-N
Synonyms
578752-55-3
(E)1(4amino125oxadiazol3yl)N(2((2chloro6fluorobenzyl)oxy)benzylidene)5((dimethylamino)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(2((2chloro6fluorobenzyl)oxy)phenyl)methylidene)5((dimethylamino)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(2((2chloro6fluorophenyl)methoxy)phenyl)methylideneamino)5((dimethylamino)methyl)triazole4carboxamide
578752553
CN(C)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC=CC=C3OCC4=C(C=CC=C4Cl)F
CN(Cc1c(nnn1c1nonc1N)C(=O)NN=Cc1ccccc1OCc1c(F)cccc1Cl)C
InChI=1SC22H21ClFN9O3c132(2)111719(273133(17)2120(25)29363021)22(34)28261013634918(13)35121415(23)75816(14)24h310H1112H212H3(H22529)(H2834)b2610+
MFCD04024357
ZINC000003640521
ZINC15899754

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Available files

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