Vitas-M small molecule compound

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

Catalog ID
STL052882
SMILES COc1ccc(cc1)n1c(SCC(=O)Nc2cc(C)ccc2C)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 C27H28N4O3S MW 488.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O3S/c1-18-6-11-23(12-7-18)34-16-25-29-30-27(31(25)21-9-13-22(33-4)14-10-21)35-17-26(32)28-24-15-19(2)5-8-20(24)3/h5-15H,16-17H2,1-4H3,(H,28,32)
InChIKey
OUQPFUIYIHNZTM-UHFFFAOYSA-N
Synonyms
849029-67-0
849029670
CC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)NC4=C(C=CC(=C4)C)C
InChI=1SC27H28N4O3Sc11861123(12718)341625293027(31(25)2191322(334)141021)351726(32)28241519(2)5820(24)3h515H1617H214H3(H2832)
MFCD05681779
N(25DIMETHYLPHENYL)2((4(4METHOXYPHENYL)5((4METHYLPHENOXY)METHYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(25dimethylphenyl)2((4(4methoxyphenyl)5((4methylphenoxy)methyl)4H124triazol3yl)sulfanyl)acetamide
N(25dimethylphenyl)2((4(4methoxyphenyl)5((ptolyloxy)methyl)4H124triazol3yl)thio)acetamide
N(25DIMETHYLPHENYL)2((4(4METHOXYPHENYL)5(4METHYLPHENOXYMETHYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(25DIMETHYLPHENYL)2(4(4METHOXYPHENYL)5((4METHYLPHENOXY)METHYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000002454050
ZINC02454050
ZINC2454050

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Available files

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