Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-N'-{(1E)-1-[4-(2-methylpropyl)phenyl]ethylidene}-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STL002646
SMILES CCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)N/N=C(/c1ccc(cc1)CC(C)C)\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 C25H28N8O3 MW 488.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N8O3/c1-5-35-20-12-10-19(11-13-20)22-21(28-32-33(22)24-23(26)30-36-31-24)25(34)29-27-16(4)18-8-6-17(7-9-18)14-15(2)3/h6-13,15H,5,14H2,1-4H3,(H2,26,30)(H,29,34)/b27-16+
InChIKey
CUAFRNAHYHJEDR-JVWAILMASA-N
Synonyms
586991-90-4
(E)1(4amino125oxadiazol3yl)5(4ethoxyphenyl)N(1(4isobutylphenyl)ethylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(4ethoxyphenyl)N((1E)1(4(2methylpropyl)phenyl)ethylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(4ethoxyphenyl)N((E)1(4(2methylpropyl)phenyl)ethylideneamino)triazole4carboxamide
586991904
CCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=C(C)C4=CC=C(C=C4)CC(C)C
CCOc1ccc(cc1)c1c(nnn1c1nonc1N)C(=O)NN=C(c1ccc(cc1)CC(C)C)C
InChI=1SC25H28N8O3c153520121019(111320)2221(283233(22)2423(26)30363124)25(34)292716(4)188617(7918)1415(2)3h61315H514H214H3(H22630)(H2934)b2716+
MFCD04033436
ZINC000009108977
ZINC97477361

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Available files

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