Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-N'-[(2E)-4-phenylbutan-2-ylidene]-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STL005376
SMILES C/C(=N\NC(=O)c1nnn(c1CSc1nncn1C)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 C19H21N11O2S MW 467.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N11O2S/c1-12(8-9-13-6-4-3-5-7-13)22-24-18(31)15-14(10-33-19-25-21-11-29(19)2)30(28-23-15)17-16(20)26-32-27-17/h3-7,11H,8-10H2,1-2H3,(H2,20,26)(H,24,31)/b22-12+InChIKey
LKYYAQAFPQXFIN-WSDLNYQXSA-NSynonyms
861147-92-4(E)1(4amino125oxadiazol3yl)5(((4methyl4H124triazol3yl)thio)methyl)N(4phenylbutan2ylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(((4methyl4H124triazol3yl)sulfanyl)methyl)N((2E)4phenylbutan2ylidene)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)5((4METHYL124TRIAZOL3YL)SULFANYLMETHYL)N((E)4PHENYLBUTAN2YLIDENEAMINO)TRIAZOLE4CARBOXAMIDE
861147924
CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=NN=CN3C)CCC4=CC=CC=C4
CC(=NNC(=O)c1nnn(c1CSc1nncn1C)c1nonc1N)CCc1ccccc1
InChI=1SC19H21N11O2Sc112(89136435713)222418(31)1514(10331925211129(19)2)30(282315)1716(20)26322717h3711H810H212H3(H22026)(H2431)b2212+
MFCD05684331
ZINC000009308237
ZINC97494840
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