Vitas-M small molecule compound

3-(2,4-dichlorophenyl)-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-4-amine

Catalog ID
STL341886
SMILES CC(=C)CSc1nnc(n1N)c1ccc(cc1Cl)Cl

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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 C12H12Cl2N4S MW 315.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12Cl2N4S/c1-7(2)6-19-12-17-16-11(18(12)15)9-4-3-8(13)5-10(9)14/h3-5H,1,6,15H2,2H3
InChIKey
GVNRBIDNHYJOPG-UHFFFAOYSA-N
Synonyms
585563-45-7
3(24dichlorophenyl)5((2methylallyl)thio)4H124triazol4amine
3(24dichlorophenyl)5((2methylprop2en1yl)sulfanyl)4H124triazol4amine
3(24DICHLOROPHENYL)5(2METHYLPROP2ENYLSULFANYL)124TRIAZOL4AMINE
3(24DICHLOROPHENYL)5(2METHYLPROP2ENYLTHIO)124TRIAZOLE4YLAMINE
585563457
CC(=C)CSC1=NN=C(N1N)C2=C(C=C(C=C2)Cl)Cl
InChI=1SC12H12Cl2N4Sc17(2)61912171611(18(12)15)9438(13)510(9)14h35H1615H22H3
MFCD04030833
ZINC000000532661
ZINC00532661
ZINC532661

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Available files

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