Vitas-M small molecule compound

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

Catalog ID
STK584345
SMILES CCOc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)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 C26H25ClN4O3S MW 509.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25ClN4O3S/c1-3-33-22-13-9-21(10-14-22)31-24(16-34-23-11-7-19(27)8-12-23)29-30-26(31)35-17-25(32)28-20-6-4-5-18(2)15-20/h4-15H,3,16-17H2,1-2H3,(H,28,32)
InChIKey
LGQNWNMCEBACMG-UHFFFAOYSA-N
Synonyms
896811-86-2
2((5((4CHLOROPHENOXY)METHYL)4(4ETHOXYPHENYL)124TRIAZOL3YL)SULFANYL)N(3METHYLPHENYL)ACETAMIDE
2((5((4chlorophenoxy)methyl)4(4ethoxyphenyl)4H124triazol3yl)sulfanyl)N(3methylphenyl)acetamide
2((5((4chlorophenoxy)methyl)4(4ethoxyphenyl)4H124triazol3yl)thio)N(mtolyl)acetamide
2((5(4CHLOROPHENOXYMETHYL)4(4ETHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)N(3METHYLPHENYL)ACETAMIDE
2(5((4CHLOROPHENOXY)METHYL)4(4ETHOXYPHENYL)(124TRIAZOL3YLTHIO))N(3METHYLPHENYL)ACETAMIDE
896811862
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC(=C3)C)COC4=CC=C(C=C4)Cl
InChI=1SC26H25ClN4O3Sc13332213921(101422)3124(16342311719(27)81223)293026(31)351725(32)282064518(2)1520h415H31617H212H3(H2832)
MFCD06595961
ZINC000002202725
ZINC02202725
ZINC2202725

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Available files

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