Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-methoxynaphthalen-1-yl)methylidene]-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STL348428
SMILES COc1ccc2c(c1/C=N/NC(=O)c1nnn(c1c1cccs1)c1nonc1N)cccc2
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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 C21H16N8O3S MW 460.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N8O3S/c1-31-15-9-8-12-5-2-3-6-13(12)14(15)11-23-25-21(30)17-18(16-7-4-10-33-16)29(28-24-17)20-19(22)26-32-27-20/h2-11H,1H3,(H2,22,26)(H,25,30)/b23-11+InChIKey
NQLVBMBVGWJDSA-FOKLQQMPSA-NSynonyms
862129-39-3(E)1(4amino125oxadiazol3yl)N((2methoxynaphthalen1yl)methylene)5(thiophen2yl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(2methoxynaphthalen1yl)methylidene)5(thiophen2yl)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)N((E)(2METHOXYNAPHTHALEN1YL)METHYLIDENEAMINO)5THIOPHEN2YLTRIAZOLE4CARBOXAMIDE
862129393
COC1=C(C2=CC=CC=C2C=C1)C=NNC(=O)C3=C(N(N=N3)C4=NON=C4N)C5=CC=CS5
COc1ccc2c(c1C=NNC(=O)c1nnn(c1c1cccs1)c1nonc1N)cccc2
InChI=1SC21H16N8O3Sc131159812523613(12)14(15)11232521(30)1718(1674103316)29(282417)2019(22)26322720h211H1H3(H22226)(H2530)b2311+
MFCD05687654
ZINC000002449495
ZINC33372784
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