Vitas-M small molecule compound

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

Catalog ID
STK582092
SMILES CCOc1ccc(cc1)NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccccn1

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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 C23H20ClN5O2S MW 465.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClN5O2S/c1-2-31-19-12-8-17(9-13-19)26-21(30)15-32-23-28-27-22(20-5-3-4-14-25-20)29(23)18-10-6-16(24)7-11-18/h3-14H,2,15H2,1H3,(H,26,30)
InChIKey
KITDGSPRMYTQFE-UHFFFAOYSA-N
Synonyms
896081-41-7
2((4(4chlorophenyl)5(pyridin2yl)4H124triazol3yl)sulfanyl)N(4ethoxyphenyl)acetamide
2((4(4chlorophenyl)5(pyridin2yl)4H124triazol3yl)thio)N(4ethoxyphenyl)acetamide
2((4(4CHLOROPHENYL)5PYRIDIN2YL124TRIAZOL3YL)SULFANYL)N(4ETHOXYPHENYL)ACETAMIDE
2(4(4CHLOROPHENYL)5(2PYRIDYL)(124TRIAZOL3YLTHIO))N(4ETHOXYPHENYL)ACETAMIDE
896081417
CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=CC=N4
InChI=1SC23H20ClN5O2Sc12311912817(91319)2621(30)153223282722(20534142520)29(23)1810616(24)71118h314H215H21H3(H2630)
MFCD06593226
ZINC000002441856
ZINC02441856
ZINC2441856

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Available files

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