Vitas-M small molecule compound

2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide

Catalog ID
STK804057
SMILES CCn1c(SCC(=O)Nc2cccc(c2)C)nnc1COc1ccc(cc1)Cl

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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 C20H21ClN4O2S MW 416.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN4O2S/c1-3-25-18(12-27-17-9-7-15(21)8-10-17)23-24-20(25)28-13-19(26)22-16-6-4-5-14(2)11-16/h4-11H,3,12-13H2,1-2H3,(H,22,26)
InChIKey
CQWJGOZFLGNOCH-UHFFFAOYSA-N
Synonyms
483285-58-1
2((5((4chlorophenoxy)methyl)4ethyl124triazol3yl)sulfanyl)N(3methylphenyl)acetamide
2((5((4chlorophenoxy)methyl)4ethyl4H124triazol3yl)sulfanyl)N(3methylphenyl)acetamide
2((5((4chlorophenoxy)methyl)4ethyl4H124triazol3yl)thio)N(mtolyl)acetamide
2((5(4CHLOROPHENOXYMETHYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)N(3METHYLPHENYL)ACETAMIDE
2(5((4CHLOROPHENOXY)METHYL)4ETHYL(124TRIAZOL3YLTHIO))N(3METHYLPHENYL)ACETAMIDE
483285581
CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C)COC3=CC=C(C=C3)Cl
InChI=1SC20H21ClN4O2Sc132518(1227179715(21)81017)232420(25)281319(26)221664514(2)1116h411H31213H212H3(H2226)
MFCD02591407
ZINC000000876310
ZINC00876310
ZINC876310

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Available files

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