Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-N'-[(2E)-4-phenylbutan-2-ylidene]-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STL055983
SMILES C/C(=N\NC(=O)c1nnn(c1c1ccc(cc1)[N+](=O)[O-])c1nonc1N)/CCc1ccccc1
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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 C21H19N9O4 MW 461.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N9O4/c1-13(7-8-14-5-3-2-4-6-14)23-25-21(31)17-18(15-9-11-16(12-10-15)30(32)33)29(28-24-17)20-19(22)26-34-27-20/h2-6,9-12H,7-8H2,1H3,(H2,22,26)(H,25,31)/b23-13+InChIKey
UIRZXPWIPJLTEM-YDZHTSKRSA-NSynonyms
716335-26-1(E)1(4amino125oxadiazol3yl)5(4nitrophenyl)N(4phenylbutan2ylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(4nitrophenyl)N((2E)4phenylbutan2ylidene)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)5(4NITROPHENYL)N((E)4PHENYLBUTAN2YLIDENEAMINO)TRIAZOLE4CARBOXAMIDE
716335261
CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC=C(C=C3)(N+)(=O)(O))CCC4=CC=CC=C4
CC(=NNC(=O)c1nnn(c1c1ccc(cc1)(N+)(=O)(O))c1nonc1N)CCc1ccccc1
InChI=1SC21H19N9O4c113(78145324614)232521(31)1718(1591116(121015)30(32)33)29(282417)2019(22)26342720h26912H78H21H3(H22226)(H2531)b2313+
MFCD05686232
ZINC000009329261
ZINC34688893
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