Vitas-M small molecule compound

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

Catalog ID
STL051237
SMILES Br/C(=C\c1ccccc1)/C=N/n1c(S)nnc1c1n[nH]c(c1)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 C15H13BrN6S MW 389.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13BrN6S/c1-10-7-13(19-18-10)14-20-21-15(23)22(14)17-9-12(16)8-11-5-3-2-4-6-11/h2-9H,1H3,(H,18,19)(H,21,23)/b12-8-,17-9+
InChIKey
CAKDRPOEJDZTHD-BXOFLPTQSA-N
Synonyms
1035965-00-4
1035965004
4(((1E2Z)2bromo3phenylprop2en1ylidene)amino)5(5methyl1Hpyrazol3yl)4H124triazole3thiol
4(((Z)2BROMANYL3PHENYLPROP2ENYLIDENE)AMINO)3(5METHYL1HPYRAZOL3YL)1H124TRIAZOLE5THIONE
4(((Z)2BROMO3PHENYLPROP2ENYLIDENE)AMINO)3(5METHYL1HPYRAZOL3YL)1H124TRIAZOLE5THIONE
4((E)((Z)2bromo3phenylallylidene)amino)5(3methyl1Hpyrazol5yl)4H124triazole3thiol
4((E)((Z)2BROMO3PHENYLPROP2ENYLIDENE)AMINO)3(5METHYL1HPYRAZOL3YL)1H124TRIAZOLE5THIONE
4((Z)2BROMO3PHENYLPROP2EN(E)YLIDENEAMINO)5(5METHYL2HPYRAZOL3YL)4H(124)TRIAZOLE3THIOL
BrC(=Cc1ccccc1)C=Nn1c(S)nnc1c1(nH)nc(c1)C
BrC(=Cc1ccccc1)C=Nn1c(S)nnc1c1n(nH)c(c1)C
CC1=CC(=NN1)C2=NNC(=S)N2N=CC(=CC3=CC=CC=C3)Br
InChI=1SC15H13BrN6Sc110713(191810)14202115(23)22(14)17912(16)8115324611h29H1H3(H1819)(H2123)b128179+
MFCD05728533
ZINC000005625901
ZINC15987596

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Available files

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