Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{4-[(2-fluorobenzyl)oxy]-3-methoxyphenyl}methylidene]-5-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STK558213
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2COc2ccc(cc2)F)c2nonc2N)ccc1OCc1ccccc1F
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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 C27H22F2N8O5 MW 576.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22F2N8O5/c1-39-23-12-16(6-11-22(23)41-14-17-4-2-3-5-20(17)29)13-31-33-27(38)24-21(15-40-19-9-7-18(28)8-10-19)37(36-32-24)26-25(30)34-42-35-26/h2-13H,14-15H2,1H3,(H2,30,34)(H,33,38)/b31-13+InChIKey
XIDIKWGXUFSYMF-IURWMYGYSA-NSynonyms
(E)1(4amino125oxadiazol3yl)N(4((2fluorobenzyl)oxy)3methoxybenzylidene)5((4fluorophenoxy)methyl)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)5((4FLUOROPHENOXY)METHYL)N((E)(4((2FLUOROPHENYL)METHOXY)3METHOXYPHENYL)METHYLIDENEAMINO)TRIAZOLE4CARBOXAMIDE
1(4amino125oxadiazol3yl)N((E)(4((2fluorobenzyl)oxy)3methoxyphenyl)methylidene)5((4fluorophenoxy)methyl)1H123triazole4carbohydrazide
COC1=C(C=CC(=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)COC4=CC=C(C=C4)F)OCC5=CC=CC=C5F
COc1cc(C=NNC(=O)c2nnn(c2COc2ccc(cc2)F)c2nonc2N)ccc1OCc1ccccc1F
InChI=1SC27H22F2N8O5c139231216(61122(23)411417423520(17)29)13313327(38)2421(1540199718(28)81019)37(363224)2625(30)34423526h213H1415H21H3(H23034)(H3338)b3113+
MFCD03339525
ZINC000001876881
ZINC102480262
Check stock
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Check stock on Vitas-MAvailable files
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