Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-5-(3-methoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STL347958
SMILES COc1cccc(c1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc2c(c1)OCO2
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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 C20H16N8O5 MW 448.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N8O5/c1-30-13-4-2-3-12(8-13)17-16(23-27-28(17)19-18(21)25-33-26-19)20(29)24-22-9-11-5-6-14-15(7-11)32-10-31-14/h2-9H,10H2,1H3,(H2,21,25)(H,24,29)/b22-9+InChIKey
QOCCBNGNXNDWQA-LSFURLLWSA-NSynonyms
861633-94-5(E)1(4amino125oxadiazol3yl)N(benzo(d)(13)dioxol5ylmethylene)5(3methoxyphenyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)13benzodioxol5ylmethylidene)5(3methoxyphenyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)13benzodioxol5ylmethylideneamino)5(3methoxyphenyl)triazole4carboxamide
861633945
COC1=CC=CC(=C1)C2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC5=C(C=C4)OCO5
COc1cccc(c1)c1c(nnn1c1nonc1N)C(=O)NN=Cc1ccc2c(c1)OCO2
InChI=1SC20H16N8O5c1301342312(813)1716(232728(17)1918(21)25332619)20(29)2422911561415(711)32103114h29H10H21H3(H22125)(H2429)b229+
MFCD05685098
ZINC000013804729
ZINC97494864
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