Vitas-M small molecule compound

4-{[(E)-(3-bromo-4-methoxyphenyl)methylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol

Catalog ID
STK110296
SMILES COc1ccc(cc1Br)/C=N/n1c(S)nnc1c1ccccc1

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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 C16H13BrN4OS MW 389.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13BrN4OS/c1-22-14-8-7-11(9-13(14)17)10-18-21-15(19-20-16(21)23)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,23)/b18-10+
InChIKey
RVWKGDGMFLTYJH-VCHYOVAHSA-N
Synonyms
352640-01-8
(E)4((3bromo4methoxybenzylidene)amino)5phenyl4H124triazole3thiol
4(((E)(3BROMO4METHOXYPHENYL)METHYLIDENE)AMINO)5PHENYL24DIHYDRO3H124TRIAZOLE3THIONE
4(((E)(3BROMO4METHOXYPHENYL)METHYLIDENE)AMINO)5PHENYL4H124TRIAZOLE3THIOL
4((E)(3BROMO4METHOXYPHENYL)METHYLIDENEAMINO)3PHENYL1H124TRIAZOLE5THIONE
COC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C3=CC=CC=C3)Br
InChI=1SC16H13BrN4OSc122148711(913(14)17)10182115(192016(21)23)125324612h210H1H3(H2023)b1810+
MFCD00998493
ZINC01239310
ZINC1239310

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Available files

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