Vitas-M small molecule compound

2-({5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-phenylethyl)acetamide

Catalog ID
STK139563
SMILES O=C(CSc1nnc(n1c1ccccc1)COc1c(C)cccc1C)NCCc1ccccc1

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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 C27H28N4O2S MW 472.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O2S/c1-20-10-9-11-21(2)26(20)33-18-24-29-30-27(31(24)23-14-7-4-8-15-23)34-19-25(32)28-17-16-22-12-5-3-6-13-22/h3-15H,16-19H2,1-2H3,(H,28,32)
InChIKey
WOQCXVZYKCBVMI-UHFFFAOYSA-N
Synonyms

2((5((26dimethylphenoxy)methyl)4phenyl124triazol3yl)sulfanyl)N(2phenylethyl)acetamide
2((5((26DIMETHYLPHENOXY)METHYL)4PHENYL124TRIAZOL3YL)SULFANYL)NPHENETHYLACETAMIDE
2((5((26DIMETHYLPHENOXY)METHYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)N(2PHENYLETHYL)ACETAMIDE
CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCCC4=CC=CC=C4
InChI=1SC27H28N4O2Sc1201091121(2)26(20)331824293027(31(24)23147481523)341925(32)28171622125361322h315H1619H212H3(H2832)
MFCD04380463
ZINC000009260938
ZINC09260938
ZINC9260938

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Available files

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