Vitas-M small molecule compound

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

Catalog ID
STL050456
SMILES CC(=C)CSc1nnc(n1N)c1ccc(cc1)F

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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 C12H13FN4S MW 264.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13FN4S/c1-8(2)7-18-12-16-15-11(17(12)14)9-3-5-10(13)6-4-9/h3-6H,1,7,14H2,2H3
InChIKey
LAVRFHWRHXJVQG-UHFFFAOYSA-N
Synonyms
674809-04-2
3(4fluorophenyl)5((2methylallyl)thio)4H124triazol4amine
3(4fluorophenyl)5((2methylprop2en1yl)sulfanyl)4H124triazol4amine
3(4FLUOROPHENYL)5(2METHYLPROP2ENYLSULFANYL)124TRIAZOL4AMINE
674809042
CC(=C)CSC1=NN=C(N1N)C2=CC=C(C=C2)F
InChI=1SC12H13FN4Sc18(2)71812161511(17(12)14)93510(13)649h36H1714H22H3
MFCD04009239
ZINC000000524225
ZINC00524225
ZINC524225

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Available files

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