Vitas-M small molecule compound

N-(2-ethyl-6-methylphenyl)-2-({4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

Catalog ID
STK587022
SMILES CCc1cccc(c1NC(=O)CSc1nnc(n1Cc1ccco1)COc1ccc(cc1)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 C26H28N4O3S MW 476.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O3S/c1-4-20-8-5-7-19(3)25(20)27-24(31)17-34-26-29-28-23(30(26)15-22-9-6-14-32-22)16-33-21-12-10-18(2)11-13-21/h5-14H,4,15-17H2,1-3H3,(H,27,31)
InChIKey
CADBJYUEAPENGF-UHFFFAOYSA-N
Synonyms
862126-99-6
862126996
CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2CC3=CC=CO3)COC4=CC=C(C=C4)C)C
InChI=1SC26H28N4O3Sc142085719(3)25(20)2724(31)173426292823(30(26)152296143222)163321121018(2)111321h514H41517H213H3(H2731)
MFCD05687388
N(2ETHYL6METHYLPHENYL)2((4(FURAN2YLMETHYL)5((4METHYLPHENOXY)METHYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2ethyl6methylphenyl)2((4(furan2ylmethyl)5((4methylphenoxy)methyl)4H124triazol3yl)sulfanyl)acetamide
N(2ethyl6methylphenyl)2((4(furan2ylmethyl)5((ptolyloxy)methyl)4H124triazol3yl)thio)acetamide
N(2ETHYL6METHYLPHENYL)2((4(FURAN2YLMETHYL)5(4METHYLPHENOXYMETHYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(6ETHYL2METHYLPHENYL)2(4(2FURYLMETHYL)5((4METHYLPHENOXY)METHYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000013805584
ZINC13805584

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Available files

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