Vitas-M small molecule compound

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

Catalog ID
STK230589
SMILES COc1ccccc1OCCSc1nnc(n1C)CC(=O)Nc1ccc(cc1)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 C21H24N4O3S MW 412.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O3S/c1-15-8-10-16(11-9-15)22-20(26)14-19-23-24-21(25(19)2)29-13-12-28-18-7-5-4-6-17(18)27-3/h4-11H,12-14H2,1-3H3,(H,22,26)
InChIKey
HZFMWBGLZUYVDF-UHFFFAOYSA-N
Synonyms

2(5((2(2METHOXYPHENOXY)ETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)N(4METHYLPHENYL)ACETAMIDE
2(5(2(2METHOXYPHENOXY)ETHYLSULFANYL)4METHYL124TRIAZOL3YL)N(4METHYLPHENYL)ACETAMIDE
CC1=CC=C(C=C1)NC(=O)CC2=NN=C(N2C)SCCOC3=CC=CC=C3OC
InChI=1SC21H24N4O3Sc11581016(11915)2220(26)1419232421(25(19)2)2913122818754617(18)273h411H1214H213H3(H2226)
MFCD07790385
ZINC000004736052
ZINC04736052
ZINC4736052

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Available files

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