Vitas-M small molecule compound

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

Catalog ID
STK468337
SMILES NC(=O)CSc1nnc(n1C)C(Oc1cccc(c1C)C)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 C15H20N4O2S MW 320.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H20N4O2S/c1-9-6-5-7-12(10(9)2)21-11(3)14-17-18-15(19(14)4)22-8-13(16)20/h5-7,11H,8H2,1-4H3,(H2,16,20)
InChIKey
XAAFJAHDZZSUTQ-UHFFFAOYSA-N
Synonyms

2((5(1(23dimethylphenoxy)ethyl)4methyl124triazol3yl)sulfanyl)acetamide
2((5(1(23dimethylphenoxy)ethyl)4methyl4H124triazol3yl)sulfanyl)acetamide
2(5((23DIMETHYLPHENOXY)ETHYL)4METHYL124TRIAZOL3YLTHIO)ACETAMIDE
CC1=C(C(=CC=C1)OC(C)C2=NN=C(N2C)SCC(=O)N)C
InChI=1SC15H20N4O2Sc1965712(10(9)2)2111(3)14171815(19(14)4)22813(16)20h5711H8H214H3(H21620)
MFCD07077289
ZINC000017055366
ZINC000017055369

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Available files

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