Vitas-M small molecule compound

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

Catalog ID
STK548758
SMILES COc1cccc(c1)C(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccncc1

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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 C22H17ClN4O2S MW 436.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN4O2S/c1-29-19-4-2-3-16(13-19)20(28)14-30-22-26-25-21(15-9-11-24-12-10-15)27(22)18-7-5-17(23)6-8-18/h2-13H,14H2,1H3
InChIKey
MPTKOCJDKIFPLC-UHFFFAOYSA-N
Synonyms
613225-77-7
2((4(4CHLOROPHENYL)5(PYRIDIN4YL)4H124TRIAZOL3YL)SULFANYL)1(3METHOXYPHENYL)ETHAN1ONE
2((4(4chlorophenyl)5(pyridin4yl)4H124triazol3yl)sulfanyl)1(3methoxyphenyl)ethanone
2((4(4chlorophenyl)5(pyridin4yl)4H124triazol3yl)thio)1(3methoxyphenyl)ethanone
2((4(4CHLOROPHENYL)5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)1(3METHOXYPHENYL)ETHANONE
613225777
COC1=CC=CC(=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4
InChI=1SC22H17ClN4O2Sc1291942316(1319)20(28)143022262521(1591124121015)27(22)187517(23)6818h213H14H21H3
MFCD03222793
ZINC000001243505
ZINC01243505
ZINC1243505

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Available files

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