Vitas-M small molecule compound

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

Catalog ID
STK028757
SMILES COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1ccc(cc1Cl)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 C23H17Cl3N4O2S MW 519.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17Cl3N4O2S/c1-32-18-9-2-14(3-10-18)22-28-29-23(30(22)17-7-4-15(24)5-8-17)33-13-21(31)27-20-11-6-16(25)12-19(20)26/h2-12H,13H2,1H3,(H,27,31)
InChIKey
MLMLIAQXPGPFBA-UHFFFAOYSA-N
Synonyms
476484-43-2
2((4(4CHLOROPHENYL)5(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)N(24DICHLOROPHENYL)ACETAMIDE
2((4(4CHLOROPHENYL)5(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)N(24DICHLOROPHENYL)ACETAMIDE
2((4(4CHLOROPHENYL)5(4METHOXYPHENYL)4H124TRIAZOL3YL)THIO)N(24DICHLOROPHENYL)ACETAMIDE
476484432
COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NC4=C(C=C(C=C4)Cl)Cl
COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1ccc(cc1Cl)Cl
InChI=1SC23H17Cl3N4O2Sc132189214(31018)22282923(30(22)177415(24)5817)331321(31)272011616(25)1219(20)26h212H13H21H3(H2731)
MFCD03223254
N(24DICHLOROPHENYL)2(4(4CHLOROPHENYL)5(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
STK028757
ZINC000002260341
ZINC2260341

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Available files

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