Vitas-M small molecule compound

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

Catalog ID
STK587277
SMILES CCOc1ccc(cc1)n1c(SCC(=O)Nc2cccc3c2cccc3)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 C29H25ClN4O3S MW 545.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25ClN4O3S/c1-2-36-23-16-12-22(13-17-23)34-27(18-37-24-14-10-21(30)11-15-24)32-33-29(34)38-19-28(35)31-26-9-5-7-20-6-3-4-8-25(20)26/h3-17H,2,18-19H2,1H3,(H,31,35)
InChIKey
RLYFHQOLLPOOBL-UHFFFAOYSA-N
Synonyms
899387-52-1
2((5((4CHLOROPHENOXY)METHYL)4(4ETHOXYPHENYL)124TRIAZOL3YL)SULFANYL)NNAPHTHALEN1YLACETAMIDE
2((5((4chlorophenoxy)methyl)4(4ethoxyphenyl)4H124triazol3yl)sulfanyl)N(naphthalen1yl)acetamide
2((5((4chlorophenoxy)methyl)4(4ethoxyphenyl)4H124triazol3yl)thio)N(naphthalen1yl)acetamide
2((5(4CHLOROPHENOXYMETHYL)4(4ETHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)N(NAPHTHALEN1YL)ACETAMIDE
2(5((4CHLOROPHENOXY)METHYL)4(4ETHOXYPHENYL)(124TRIAZOL3YLTHIO))NNAPHTHYLACETAMIDE
899387521
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC4=CC=CC=C43)COC5=CC=C(C=C5)Cl
InChI=1SC29H25ClN4O3Sc123623161222(131723)3427(183724141021(30)111524)323329(34)381928(35)312695720634825(20)26h317H21819H21H3(H3135)
MFCD06608431
ZINC000002339931
ZINC2339931

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Available files

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