Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-fluorophenyl)methylidene]-5-{[(4-methylphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STL348446
SMILES Cc1ccc(cc1)SCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1cccc(c1)F
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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 C20H17FN8O2S MW 452.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17FN8O2S/c1-12-5-7-15(8-6-12)32-11-16-17(24-28-29(16)19-18(22)26-31-27-19)20(30)25-23-10-13-3-2-4-14(21)9-13/h2-10H,11H2,1H3,(H2,22,26)(H,25,30)/b23-10+InChIKey
YMMPJLRSLHWZHV-AUEPDCJTSA-NSynonyms
862184-06-3(E)1(4amino125oxadiazol3yl)N(3fluorobenzylidene)5((ptolylthio)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(3fluorophenyl)methylidene)5(((4methylphenyl)sulfanyl)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(3fluorophenyl)methylideneamino)5((4methylphenyl)sulfanylmethyl)triazole4carboxamide
862184063
CC1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC(=CC=C4)F
Cc1ccc(cc1)SCc1c(nnn1c1nonc1N)C(=O)NN=Cc1cccc(c1)F
InChI=1SC20H17FN8O2Sc1125715(8612)32111617(242829(16)1918(22)26312719)20(30)2523101332414(21)913h210H11H21H3(H22226)(H2530)b2310+
MFCD05687741
ZINC000009499238
ZINC33672396
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