Vitas-M small molecule compound

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

Catalog ID
STK218548
SMILES COc1ccc(cc1)C(=O)CSc1nnc(n1C)c1cccc(c1)C

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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 C19H19N3O2S MW 353.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O2S/c1-13-5-4-6-15(11-13)18-20-21-19(22(18)2)25-12-17(23)14-7-9-16(24-3)10-8-14/h4-11H,12H2,1-3H3
InChIKey
AHBKRXCUYMKXAR-UHFFFAOYSA-N
Synonyms

1(4METHOXYPHENYL)2((4METHYL5(3METHYLPHENYL)124TRIAZOL3YL)SULFANYL)ETHANONE
1(4METHOXYPHENYL)2((4METHYL5(3METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)ETHANONE
CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)OC
InChI=1SC19H19N3O2Sc11354615(1113)18202119(22(18)2)251217(23)147916(243)10814h411H12H213H3
MFCD06633390
ZINC000004814592
ZINC04814592
ZINC4814592

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Available files

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