Vitas-M small molecule compound

2-({5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethanone

Catalog ID
STK571754
SMILES COc1ccc(cc1)n1c(SCC(=O)c2ccc(cc2)OC)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 C25H22ClN3O4S MW 495.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN3O4S/c1-31-20-9-3-17(4-10-20)23(30)16-34-25-28-27-24(15-33-22-11-5-18(26)6-12-22)29(25)19-7-13-21(32-2)14-8-19/h3-14H,15-16H2,1-2H3
InChIKey
UPMZUGZDRDVWJY-UHFFFAOYSA-N
Synonyms
848924-83-4
2((5((4CHLOROPHENOXY)METHYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)1(4METHOXYPHENYL)ETHANONE
2((5((4chlorophenoxy)methyl)4(4methoxyphenyl)4H124triazol3yl)sulfanyl)1(4methoxyphenyl)ethanone
2((5((4chlorophenoxy)methyl)4(4methoxyphenyl)4H124triazol3yl)thio)1(4methoxyphenyl)ethanone
2((5(4CHLOROPHENOXYMETHYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)1(4METHOXYPHENYL)ETHAN1ONE
2(5((4CHLOROPHENOXY)METHYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))1(4METHOXYPHENYL)ETHAN1ONE
848924834
COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)COC4=CC=C(C=C4)Cl
InChI=1SC25H22ClN3O4Sc131209317(41020)23(30)163425282724(15332211518(26)61222)29(25)1971321(322)14819h314H1516H212H3
MFCD05677832
ZINC000002443607
ZINC02443607
ZINC2443607

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Available files

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