Vitas-M small molecule compound

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

Catalog ID
STK564478
SMILES Cc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)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 C16H13BrN4S MW 373.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13BrN4S/c1-11-2-6-13(7-3-11)15-19-20-16(22)21(15)18-10-12-4-8-14(17)9-5-12/h2-10H,1H3,(H,20,22)/b18-10+
InChIKey
LSPMRWVVTINAFO-VCHYOVAHSA-N
Synonyms
497083-72-4
4(((E)(4bromophenyl)methylidene)amino)5(4methylphenyl)24dihydro3H124triazole3thione
4((E)(4BROMOPHENYL)METHYLIDENEAMINO)3(4METHYLPHENYL)1H124TRIAZOLE5THIONE
497083724
Cc1ccc(cc1)c1n(nH)c(=S)n1N=Cc1ccc(cc1)Br
InChI=1SC16H13BrN4Sc1112613(7311)15192016(22)21(15)1810124814(17)9512h210H1H3(H2022)b1810+
MFCD03802957
ZINC000001473685
ZINC06032862
ZINC6032862

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.