Vitas-M small molecule compound
4-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}-2-ethoxyphenyl 3-methoxybenzoate
Catalog ID
STK563033
SMILES CCOc1cc(/C=N/NC(=O)c2nnn(c2COc2ccc(cc2)F)c2nonc2N)ccc1OC(=O)c1cccc(c1)OC
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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 C29H25FN8O7 MW 616.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25FN8O7/c1-3-42-24-13-17(7-12-23(24)44-29(40)18-5-4-6-21(14-18)41-2)15-32-34-28(39)25-22(16-43-20-10-8-19(30)9-11-20)38(37-33-25)27-26(31)35-45-36-27/h4-15H,3,16H2,1-2H3,(H2,31,35)(H,34,39)/b32-15+InChIKey
XDRJDBTZPRNYEV-VWJSQJICSA-NSynonyms
(4((E)((1(4amino125oxadiazol3yl)5((4fluorophenoxy)methyl)triazole4carbonyl)hydrazinylidene)methyl)2ethoxyphenyl)3methoxybenzoate
(E)4((2(1(4amino125oxadiazol3yl)5((4fluorophenoxy)methyl)1H123triazole4carbonyl)hydrazono)methyl)2ethoxyphenyl3methoxybenzoate
4((E)(2((1(4amino125oxadiazol3yl)5((4fluorophenoxy)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)2ethoxyphenyl3methoxybenzoate
CCOC1=C(C=CC(=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)COC4=CC=C(C=C4)F)OC(=O)C5=CC(=CC=C5)OC
CCOc1cc(C=NNC(=O)c2nnn(c2COc2ccc(cc2)F)c2nonc2N)ccc1OC(=O)c1cccc(c1)OC
InChI=1SC29H25FN8O7c1342241317(71223(24)4429(40)1854621(1418)412)15323428(39)2522(16432010819(30)91120)38(373325)2726(31)35453627h415H316H212H3(H23135)(H3439)b3215+
MFCD03339713
ZINC000097966982
ZINC102517301
Check stock
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Check stock on Vitas-MAvailable files
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