Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STL004843
SMILES C/C(=C\c1ccccc1)/C=N/NC(=O)c1nnn(c1CSc1nncn1C)c1nonc1N

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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 C19H19N11O2S MW 465.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N11O2S/c1-12(8-13-6-4-3-5-7-13)9-21-24-18(31)15-14(10-33-19-25-22-11-29(19)2)30(28-23-15)17-16(20)26-32-27-17/h3-9,11H,10H2,1-2H3,(H2,20,26)(H,24,31)/b12-8+,21-9+
InChIKey
ZLRZRQDBOXTJAU-FYKLSXEASA-N
Synonyms
848998-45-8
(E)1(4amino125oxadiazol3yl)N((E)2methyl3phenylallylidene)5(((4methyl4H124triazol3yl)thio)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((1E2E)2methyl3phenylprop2en1ylidene)5(((4methyl4H124triazol3yl)sulfanyl)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)((E)2methyl3phenylprop2enylidene)amino)5((4methyl124triazol3yl)sulfanylmethyl)triazole4carboxamide
848998458
CC(=CC1=CC=CC=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=NN=CN4C
CC(=Cc1ccccc1)C=NNC(=O)c1nnn(c1CSc1nncn1C)c1nonc1N
InChI=1SC19H19N11O2Sc112(8136435713)9212418(31)1514(10331925221129(19)2)30(282315)1716(20)26322717h3911H10H212H3(H22026)(H2431)b128+219+
MFCD05679591
ZINC000013787770
ZINC33625530

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Available files

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