Vitas-M small molecule compound

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

Catalog ID
STK012878
SMILES COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1ccc(c(c1)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 C25H23ClN4O2S MW 479.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN4O2S/c1-16-4-9-20(14-17(16)2)27-23(31)15-33-25-29-28-24(18-5-12-22(32-3)13-6-18)30(25)21-10-7-19(26)8-11-21/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey
CYACDZVWGRTGTH-UHFFFAOYSA-N
Synonyms
499101-61-0
2((4(4CHLOROPHENYL)5(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)N(34DIMETHYLPHENYL)ACETAMIDE
2((4(4CHLOROPHENYL)5(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)N(34DIMETHYLPHENYL)ACETAMIDE
2((4(4chlorophenyl)5(4methoxyphenyl)4H124triazol3yl)thio)N(34dimethylphenyl)acetamide
499101610
CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OC)C
COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1ccc(c(c1)C)C
InChI=1SC25H23ClN4O2Sc1164920(1417(16)2)2723(31)153325292824(1851222(323)13618)30(25)2110719(26)81121h414H15H213H3(H2731)
MFCD03223272
N(34DIMETHYLPHENYL)2(4(4CHLOROPHENYL)5(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
STK012878
ZINC000001307065
ZINC01307065
ZINC1307065

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Available files

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