Vitas-M small molecule compound

2-[(5-{[(4-methoxyphenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone

Catalog ID
STK955720
SMILES COc1ccc(cc1)NCc1nnc(n1c1ccccc1)SCC(=O)c1ccccc1

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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 C24H22N4O2S MW 430.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O2S/c1-30-21-14-12-19(13-15-21)25-16-23-26-27-24(28(23)20-10-6-3-7-11-20)31-17-22(29)18-8-4-2-5-9-18/h2-15,25H,16-17H2,1H3
InChIKey
ICIPDJOZTSDOEF-UHFFFAOYSA-N
Synonyms
539807-34-6
2((5(((4methoxyphenyl)amino)methyl)4phenyl4H124triazol3yl)sulfanyl)1phenylethanone
2((5((4methoxyanilino)methyl)4phenyl124triazol3yl)sulfanyl)1phenylethanone
539807346
COC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=CC=C4
InChI=1SC24H22N4O2Sc13021141219(131521)251623262724(28(23)20106371120)311722(29)188425918h21525H1617H21H3
MFCD01431157
ZINC000002738793
ZINC02738793
ZINC2738793

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Available files

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