Vitas-M small molecule compound

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

Catalog ID
STL006199
SMILES N#Cc1ccc(cc1)/C(=N/NC(=O)c1nnn(c1CSc1nncn1C)c1nonc1N)/C

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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 C18H16N12O2S MW 464.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N12O2S/c1-10(12-5-3-11(7-19)4-6-12)22-24-17(31)14-13(8-33-18-25-21-9-29(18)2)30(28-23-14)16-15(20)26-32-27-16/h3-6,9H,8H2,1-2H3,(H2,20,26)(H,24,31)/b22-10+
InChIKey
CIQIAGITPYFKRH-LSHDLFTRSA-N
Synonyms
861110-13-6
(E)1(4amino125oxadiazol3yl)N(1(4cyanophenyl)ethylidene)5(((4methyl4H124triazol3yl)thio)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((1E)1(4cyanophenyl)ethylidene)5(((4methyl4H124triazol3yl)sulfanyl)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)1(4cyanophenyl)ethylideneamino)5((4methyl124triazol3yl)sulfanylmethyl)triazole4carboxamide
861110136
CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=NN=CN3C)C4=CC=C(C=C4)C#N
InChI=1SC18H16N12O2Sc110(125311(719)4612)222417(31)1413(833182521929(18)2)30(282314)1615(20)26322716h369H8H212H3(H22026)(H2431)b2210+
MFCD05682411
N#Cc1ccc(cc1)C(=NNC(=O)c1nnn(c1CSc1nncn1C)c1nonc1N)C
ZINC000009307231
ZINC97492714

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Available files

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