Vitas-M small molecule compound

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

Catalog ID
STK052376
SMILES COc1cc(OC)ccc1NC(=O)CSc1nnc(n1c1ccc(cc1)Br)c1ccncc1

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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 C23H20BrN5O3S MW 526.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20BrN5O3S/c1-31-18-7-8-19(20(13-18)32-2)26-21(30)14-33-23-28-27-22(15-9-11-25-12-10-15)29(23)17-5-3-16(24)4-6-17/h3-13H,14H2,1-2H3,(H,26,30)
InChIKey
DSZPLJQDXONVGY-UHFFFAOYSA-N
Synonyms
477329-70-7
2((4(4BROMOPHENYL)5(PYRIDIN4YL)4H124TRIAZOL3YL)SULFANYL)N(24DIMETHOXYPHENYL)ACETAMIDE
2((4(4BROMOPHENYL)5(PYRIDIN4YL)4H124TRIAZOL3YL)THIO)N(24DIMETHOXYPHENYL)ACETAMIDE
2((4(4BROMOPHENYL)5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)N(24DIMETHOXYPHENYL)ACETAMIDE
477329707
COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=NC=C4)OC
COc1cc(OC)ccc1NC(=O)CSc1nnc(n1c1ccc(cc1)Br)c1ccncc1
InChI=1SC23H20BrN5O3Sc131187819(20(1318)322)2621(30)143323282722(1591125121015)29(23)175316(24)4617h313H14H212H3(H2630)
MFCD03224620
N(24DIMETHOXYPHENYL)2(4(4BROMOPHENYL)5(4PYRIDYL)(124TRIAZOL3YLTHIO))ACETAMIDE
STK052376
ZINC000001297024
ZINC01297024
ZINC1297024

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Available files

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