Vitas-M small molecule compound

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

Catalog ID
STK553905
SMILES CCOc1ccc(cc1)n1c(SCC(=O)Nc2cc(C)ccc2C)nnc1c1cccnc1

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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 C25H25N5O2S MW 459.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N5O2S/c1-4-32-21-11-9-20(10-12-21)30-24(19-6-5-13-26-15-19)28-29-25(30)33-16-23(31)27-22-14-17(2)7-8-18(22)3/h5-15H,4,16H2,1-3H3,(H,27,31)
InChIKey
GHCBHXHVPGTRFA-UHFFFAOYSA-N
Synonyms
613227-60-4
613227604
CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=CC(=C3)C)C)C4=CN=CC=C4
InChI=1SC25H25N5O2Sc14322111920(101221)3024(196513261519)282925(30)331623(31)27221417(2)7818(22)3h515H416H213H3(H2731)
MFCD03225182
N(25dimethylphenyl)2((4(4ethoxyphenyl)5(pyridin3yl)4H124triazol3yl)sulfanyl)acetamide
N(25dimethylphenyl)2((4(4ethoxyphenyl)5(pyridin3yl)4H124triazol3yl)thio)acetamide
N(25DIMETHYLPHENYL)2((4(4ETHOXYPHENYL)5PYRIDIN3YL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(25DIMETHYLPHENYL)2(4(4ETHOXYPHENYL)5(3PYRIDYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000001476630
ZINC01476630
ZINC1476630

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Available files

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