Vitas-M small molecule compound

3-(4-chlorophenyl)-5-[(4-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazole

Catalog ID
STK415295
SMILES Fc1ccc(cc1)CSc1nnc(n1C)c1ccc(cc1)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 C16H13ClFN3S MW 333.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClFN3S/c1-21-15(12-4-6-13(17)7-5-12)19-20-16(21)22-10-11-2-8-14(18)9-3-11/h2-9H,10H2,1H3
InChIKey
LOYUPARQBSIHGZ-UHFFFAOYSA-N
Synonyms

3(4chlorophenyl)5((4fluorobenzyl)sulfanyl)4methyl4H124triazole
3(4chlorophenyl)5((4fluorophenyl)methylsulfanyl)4methyl124triazole
5(4CHLOROPHENYL)3((4FLUOROPHENYL)METHYLTHIO)4METHYL124TRIAZOLE
CN1C(=NN=C1SCC2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl
InChI=1SC16H13ClFN3Sc12115(124613(17)7512)192016(21)2210112814(18)9311h29H10H21H3
MFCD04036278
ZINC000002523602
ZINC02523602
ZINC2523602

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Available files

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