Vitas-M small molecule compound

4-{[(E)-(3-bromophenyl)methylidene]amino}-5-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STK579968
SMILES COc1ccccc1c1n[nH]c(=S)n1/N=C/c1cccc(c1)Br

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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/c1-22-14-8-3-2-7-13(14)15-19-20-16(23)21(15)18-10-11-5-4-6-12(17)9-11/h2-10H,1H3,(H,20,23)/b18-10+
InChIKey
XULRCEKECOVEIW-VCHYOVAHSA-N
Synonyms
478256-45-0
4(((E)(3bromophenyl)methylidene)amino)5(2methoxyphenyl)24dihydro3H124triazole3thione
4((1E)2(3BROMOPHENYL)1AZAVINYL)5(2METHOXYPHENYL)124TRIAZOLE3THIOL
4((3BROMOBENZYLIDENE)AMINO)3(2METHOXYPHENYL)1H124TRIAZOLE5(4H)THIONE
4((E)(3BROMOPHENYL)METHYLIDENEAMINO)3(2METHOXYPHENYL)1H124TRIAZOLE5THIONE
478256450
COC1=CC=CC=C1C2=NNC(=S)N2N=CC3=CC(=CC=C3)Br
COc1ccccc1c1n(nH)c(=S)n1N=Cc1cccc(c1)Br
InChI=1SC16H13BrN4OSc12214832713(14)15192016(23)21(15)18101154612(17)911h210H1H3(H2023)b1810+
MFCD07202698
ZINC000006166209
ZINC33350807

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Available files

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