Vitas-M small molecule compound

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

Catalog ID
STL294436
SMILES CCCOc1ccc(cc1)NC(=O)CSc1nnc(n1C)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 C19H21N5O2S MW 383.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N5O2S/c1-3-12-26-16-6-4-15(5-7-16)21-17(25)13-27-19-23-22-18(24(19)2)14-8-10-20-11-9-14/h4-11H,3,12-13H2,1-2H3,(H,21,25)
InChIKey
UZKWUVZDKKWZBU-UHFFFAOYSA-N
Synonyms

2((4methyl5(pyridin4yl)4H124triazol3yl)sulfanyl)N(4propoxyphenyl)acetamide
2((4methyl5pyridin4yl124triazol3yl)sulfanyl)N(4propoxyphenyl)acetamide
CCCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=NC=C3
InChI=1SC19H21N5O2Sc131226166415(5716)2117(25)132719232218(24(19)2)148102011914h411H31213H212H3(H2125)
MFCD09877300
ZINC000015019384
ZINC15019384

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Available files

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