Vitas-M small molecule compound

4-(propan-2-yl)-N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzyl]benzamide

Catalog ID
STK319931
SMILES O=C(c1ccc(cc1)C(C)C)NCc1ccc(cc1)c1nn2c(s1)nnc2

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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 C20H19N5OS MW 377.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5OS/c1-13(2)15-7-9-16(10-8-15)18(26)21-11-14-3-5-17(6-4-14)19-24-25-12-22-23-20(25)27-19/h3-10,12-13H,11H2,1-2H3,(H,21,26)
InChIKey
LAEZFPHBJRKEEI-UHFFFAOYSA-N
Synonyms

4(propan2yl)N(4((124)triazolo(34b)(134)thiadiazol6yl)benzyl)benzamide
4propan2ylN((4((124)triazolo(34b)(134)thiadiazol6yl)phenyl)methyl)benzamide
CC(C)C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)C3=NN4C=NN=C4S3
InChI=1SC20H19N5OSc113(2)157916(10815)18(26)2111143517(6414)19242512222320(25)2719h3101213H11H212H3(H2126)
MFCD09961508
ZINC000012651716
ZINC12651716

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Available files

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