Vitas-M small molecule compound

4-{[(E)-anthracen-9-ylmethylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STL050800
SMILES Cc1[nH]nc(c1)c1nnc(n1/N=C/c1c2ccccc2cc2c1cccc2)S

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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 C21H16N6S MW 384.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N6S/c1-13-10-19(24-23-13)20-25-26-21(28)27(20)22-12-18-16-8-4-2-6-14(16)11-15-7-3-5-9-17(15)18/h2-12H,1H3,(H,23,24)(H,26,28)/b22-12+
InChIKey
FODKCZQQWQRKBA-WSDLNYQXSA-N
Synonyms
850719-24-3
(E)4((anthracen9ylmethylene)amino)5(3methyl1Hpyrazol5yl)4H124triazole3thiol
4(((E)anthracen9ylmethylidene)amino)5(5methyl1Hpyrazol3yl)4H124triazole3thiol
4((1E)2(9ANTHRYL)1AZAVINYL)5(3METHYLPYRAZOL5YL)124TRIAZOLE3THIOL
4((E)ANTHRACEN9YLMETHYLIDENEAMINO)3(5METHYL1HPYRAZOL3YL)1H124TRIAZOLE5THIONE
850719243
Cc1(nH)nc(c1)c1nnc(n1N=Cc1c2ccccc2cc2c1cccc2)S
CC1=CC(=NN1)C2=NNC(=S)N2N=CC3=C4C=CC=CC4=CC5=CC=CC=C53
Cc1n(nH)c(c1)c1nnc(n1N=Cc1c2ccccc2cc2c1cccc2)S
InChI=1SC21H16N6Sc1131019(242313)20252621(28)27(20)22121816842614(16)1115735917(15)18h212H1H3(H2324)(H2628)b2212+
MFCD05735179
ZINC000005625906
ZINC8574898

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Available files

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