Vitas-M small molecule compound

4-[(2-bromobenzylidene)amino]-5-(4-tert-butylphenyl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK102482
SMILES Brc1ccccc1/C=N/n1c(S)nnc1c1ccc(cc1)C(C)(C)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 C19H19BrN4S MW 415.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19BrN4S/c1-19(2,3)15-10-8-13(9-11-15)17-22-23-18(25)24(17)21-12-14-6-4-5-7-16(14)20/h4-12H,1-3H3,(H,23,25)
InChIKey
HCCJFFGINWYZER-UHFFFAOYSA-N
Synonyms
380458-06-0
380458060
4((1E)2(2BROMOPHENYL)1AZAVINYL)5(4(TERTBUTYL)PHENYL)124TRIAZOLE3THIOL
4((2bromobenzylidene)amino)5(4(tertbutyl)phenyl)4H124triazole3thiol
4((2BROMOBENZYLIDENE)AMINO)5(4TERTBUTYLPHENYL)24DIHYDRO3H124TRIAZOLE3THIONE
4((2BROMOBENZYLIDENE)AMINO)5(4TERTBUTYLPHENYL)4H124TRIAZOLE3THIOL
4((2BROMOPHENYL)METHYLIDENEAMINO)3(4TERTBUTYLPHENYL)1H124TRIAZOLE5THIONE
Brc1ccccc1C=Nn1c(S)nnc1c1ccc(cc1)C(C)(C)C
CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC=CC=C3Br
InChI=1SC19H19BrN4Sc119(23)1510813(91115)17222318(25)24(17)211214645716(14)20h412H13H3(H2325)
MFCD02924222
ZINC000244659406

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Available files

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