Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(phenylsulfanyl)methyl]-N'-{(E)-[4-(trifluoromethyl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STL003546
SMILES O=C(c1nnn(c1CSc1ccccc1)c1nonc1N)N/N=C/c1ccc(cc1)C(F)(F)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 C20H15F3N8O2S MW 488.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15F3N8O2S/c21-20(22,23)13-8-6-12(7-9-13)10-25-27-19(32)16-15(11-34-14-4-2-1-3-5-14)31(30-26-16)18-17(24)28-33-29-18/h1-10H,11H2,(H2,24,28)(H,27,32)/b25-10+InChIKey
ASDAUCXDIWROGM-KIBLKLHPSA-NSynonyms
578697-45-7(E)1(4amino125oxadiazol3yl)5((phenylthio)methyl)N(4(trifluoromethyl)benzylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5((phenylsulfanyl)methyl)N((E)(4(trifluoromethyl)phenyl)methylidene)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)5(PHENYLSULFANYLMETHYL)N((E)(4(TRIFLUOROMETHYL)PHENYL)METHYLIDENEAMINO)TRIAZOLE4CARBOXAMIDE
578697457
C1=CC=C(C=C1)SCC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=C(C=C4)C(F)(F)F
InChI=1SC20H15F3N8O2Sc2120(2223)138612(7913)10252719(32)1615(1134144213514)31(302616)1817(24)28332918h110H11H2(H22428)(H2732)b2510+
MFCD04028987
O=C(c1nnn(c1CSc1ccccc1)c1nonc1N)NN=Cc1ccc(cc1)C(F)(F)F
ZINC000002385986
ZINC33364440
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