Vitas-M small molecule compound

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

Catalog ID
STL048325
SMILES COc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C)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 C25H23ClN4O3S MW 495.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN4O3S/c1-17-3-7-19(8-4-17)27-24(31)16-34-25-29-28-23(15-33-22-11-5-18(26)6-12-22)30(25)20-9-13-21(32-2)14-10-20/h3-14H,15-16H2,1-2H3,(H,27,31)
InChIKey
XBZOYWFHENFUAY-UHFFFAOYSA-N
Synonyms
848930-67-6
2((5((4CHLOROPHENOXY)METHYL)4(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)N(4METHYLPHENYL)ACETAMIDE
2((5((4chlorophenoxy)methyl)4(4methoxyphenyl)4H124triazol3yl)sulfanyl)N(4methylphenyl)acetamide
2((5((4chlorophenoxy)methyl)4(4methoxyphenyl)4H124triazol3yl)thio)N(ptolyl)acetamide
2((5(4CHLOROPHENOXYMETHYL)4(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)N(4METHYLPHENYL)ACETAMIDE
2(5((4CHLOROPHENOXY)METHYL)4(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))N(4METHYLPHENYL)ACETAMIDE
848930676
CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)COC4=CC=C(C=C4)Cl
InChI=1SC25H23ClN4O3Sc1173719(8417)2724(31)163425292823(15332211518(26)61222)30(25)2091321(322)141020h314H1516H212H3(H2731)
MFCD05678203
ZINC000002444726
ZINC02444726
ZINC2444726

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Available files

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