Vitas-M small molecule compound

2-{[5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethanone

Catalog ID
STK267101
SMILES Cc1ccc(cc1)C(=O)CSc1nnc(n1C)c1ccccc1F

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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 C18H16FN3OS MW 341.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16FN3OS/c1-12-7-9-13(10-8-12)16(23)11-24-18-21-20-17(22(18)2)14-5-3-4-6-15(14)19/h3-10H,11H2,1-2H3
InChIKey
LKLVYAONSQPZPV-UHFFFAOYSA-N
Synonyms

2((5(2fluorophenyl)4methyl124triazol3yl)sulfanyl)1(4methylphenyl)ethanone
2((5(2FLUOROPHENYL)4METHYL4H124TRIAZOL3YL)SULFANYL)1(4METHYLPHENYL)ETHANONE
2(5(2FLUOROPHENYL)4METHYL4H(124)TRIAZOL3YLSULFANYL)1PTOLYLETHANONE
CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CC=CC=C3F
InChI=1SC18H16FN3OSc1127913(10812)16(23)112418212017(22(18)2)14534615(14)19h310H11H212H3
MFCD09267753
ZINC000009582597
ZINC09582597
ZINC9582597

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Available files

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