Vitas-M small molecule compound

5-methyl-4-{[(E)-(4-methylphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol

Catalog ID
STK513040
SMILES Cc1ccc(cc1)/C=N/n1c(C)nnc1S

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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 C11H12N4S MW 232.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H12N4S/c1-8-3-5-10(6-4-8)7-12-15-9(2)13-14-11(15)16/h3-7H,1-2H3,(H,14,16)/b12-7+
InChIKey
WRGIMVVTCGUIPD-KPKJPENVSA-N
Synonyms

3methyl4((E)(4methylphenyl)methylideneamino)1H124triazole5thione
4((1E)2(4METHYLPHENYL)1AZAVINYL)5METHYL124TRIAZOLE3THIOL
5methyl4(((E)(4methylphenyl)methylidene)amino)4H124triazole3thiol
CC1=CC=C(C=C1)C=NN2C(=NNC2=S)C
Cc1ccc(cc1)C=Nn1c(C)nnc1S
InChI=1SC11H12N4Sc183510(648)712159(2)131411(15)16h37H12H3(H1416)b127+
MFCD02963189
ZINC000008549906
ZINC35569137

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Available files

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