Vitas-M small molecule compound

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

Catalog ID
STK226822
SMILES COc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(=O)c1ccc(o1)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 C22H19N3O3S MW 405.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O3S/c1-15-8-13-20(28-15)19(26)14-29-22-24-23-21(16-9-11-18(27-2)12-10-16)25(22)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3
InChIKey
ZTELCCLVBRGBHV-UHFFFAOYSA-N
Synonyms

2((5(4METHOXYPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)1(5METHYLFURAN2YL)ETHANONE
2((5(4methoxyphenyl)4phenyl4H124triazol3yl)sulfanyl)1(5methylfuran2yl)ethanone
CC1=CC=C(O1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)OC
InChI=1SC22H19N3O3Sc11581320(2815)19(26)142922242321(1691118(272)121016)25(22)176435717h313H14H212H3
MFCD03768471
ZINC000001076368
ZINC01076368
ZINC1076368

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Available files

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