Vitas-M small molecule compound

2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone

Catalog ID
STK230480
SMILES O=C(N1CCN(CC1)c1ccccc1)CSc1nnc(n1c1ccccc1)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 C21H23N5OS MW 393.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5OS/c1-17-22-23-21(26(17)19-10-6-3-7-11-19)28-16-20(27)25-14-12-24(13-15-25)18-8-4-2-5-9-18/h2-11H,12-16H2,1H3
InChIKey
ZREFDPIHGYTGJU-UHFFFAOYSA-N
Synonyms

2((5METHYL4PHENYL124TRIAZOL3YL)SULFANYL)1(4PHENYLPIPERAZIN1YL)ETHANONE
2((5METHYL4PHENYL4H124TRIAZOL3YL)SULFANYL)1(4PHENYLPIPERAZIN1YL)ETHANONE
CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4
InChI=1SC21H23N5OSc117222321(26(17)19106371119)281620(27)25141224(131525)188425918h211H1216H21H3
MFCD06377770
ZINC000003385851
ZINC03385851
ZINC3385851

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Available files

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