Vitas-M small molecule compound

2-({4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide

Catalog ID
STK568134
SMILES COc1ccc(cc1)n1c(SCC(=O)Nc2c(C)cc(cc2C)C)nnc1COc1ccc(cc1)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 C28H30N4O3S MW 502.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O3S/c1-18-6-10-24(11-7-18)35-16-25-30-31-28(32(25)22-8-12-23(34-5)13-9-22)36-17-26(33)29-27-20(3)14-19(2)15-21(27)4/h6-15H,16-17H2,1-5H3,(H,29,33)
InChIKey
CKBPXAAFUWFTHO-UHFFFAOYSA-N
Synonyms
849025-22-5
2((4(4METHOXYPHENYL)5((4METHYLPHENOXY)METHYL)124TRIAZOL3YL)SULFANYL)N(246TRIMETHYLPHENYL)ACETAMIDE
2((4(4methoxyphenyl)5((4methylphenoxy)methyl)4H124triazol3yl)sulfanyl)N(246trimethylphenyl)acetamide
2((4(4METHOXYPHENYL)5(4METHYLPHENOXYMETHYL)4H124TRIAZOL3YL)SULFANYL)N(246TRIMETHYLPHENYL)ACETAMIDE
2(4(4METHOXYPHENYL)5((4METHYLPHENOXY)METHYL)(124TRIAZOL3YLTHIO))N(246TRIMETHYLPHENYL)ACETAMIDE
849025225
CC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)NC4=C(C=C(C=C4C)C)C
InChI=1SC28H30N4O3Sc11861024(11718)351625303128(32(25)2281223(345)13922)361726(33)292720(3)1419(2)1521(27)4h615H1617H215H3(H2933)
MFCD05681280
Nmesityl2((4(4methoxyphenyl)5((ptolyloxy)methyl)4H124triazol3yl)thio)acetamide
ZINC000002453218
ZINC02453218
ZINC2453218

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Available files

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