Vitas-M small molecule compound

5-(5-methyl-1H-pyrazol-3-yl)-4-{[(1E,2E)-3-phenylprop-2-en-1-ylidene]amino}-4H-1,2,4-triazole-3-thiol

Catalog ID
STL057918
SMILES Cc1[nH]nc(c1)c1nnc(n1/N=C/C=C/c1ccccc1)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 C15H14N6S MW 310.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14N6S/c1-11-10-13(18-17-11)14-19-20-15(22)21(14)16-9-5-8-12-6-3-2-4-7-12/h2-10H,1H3,(H,17,18)(H,20,22)/b8-5+,16-9+
InChIKey
SAGUFNOYZLINCE-ZCPHBQKFSA-N
Synonyms
850736-45-7
3(5METHYL1HPYRAZOL3YL)4(((E)3PHENYLPROP2ENYLIDENE)AMINO)1H124TRIAZOLE5THIONE
3(5METHYL1HPYRAZOL3YL)4((E)((E)3PHENYLPROP2ENYLIDENE)AMINO)1H124TRIAZOLE5THIONE
4((1E3E)4PHENYL1AZABUTA13DIENYL)5(3METHYLPYRAZOL5YL)124TRIAZOLE3THIOL
5(3methyl1Hpyrazol5yl)4((E)((E)3phenylallylidene)amino)4H124triazole3thiol
5(5methyl1Hpyrazol3yl)4(((1E2E)3phenylprop2en1ylidene)amino)4H124triazole3thiol
5(5METHYL2HPYRAZOL3YL)4((E)3PHENYLPROP2EN(E)YLIDENEAMINO)4H(124)TRIAZOLE3THIOL
850736457
Cc1(nH)nc(c1)c1nnc(n1N=CC=Cc1ccccc1)S
CC1=CC(=NN1)C2=NNC(=S)N2N=CC=CC3=CC=CC=C3
Cc1n(nH)c(c1)c1nnc(n1N=CC=Cc1ccccc1)S
InChI=1SC15H14N6Sc1111013(181711)14192015(22)21(14)16958126324712h210H1H3(H1718)(H2022)b85+169+
MFCD05728332
ZINC000017208303
ZINC4464439

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Available files

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