Vitas-M small molecule compound

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

Catalog ID
STK344223
SMILES CCOc1cccc(c1)C(=O)NCc1ccc(cc1)c1nn2c(s1)nnc2C

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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 C20H19N5O2S MW 393.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O2S/c1-3-27-17-6-4-5-16(11-17)18(26)21-12-14-7-9-15(10-8-14)19-24-25-13(2)22-23-20(25)28-19/h4-11H,3,12H2,1-2H3,(H,21,26)
InChIKey
KILIXCGRLPTTPG-UHFFFAOYSA-N
Synonyms

3ethoxyN((4(3methyl(124)triazolo(34b)(134)thiadiazol6yl)phenyl)methyl)benzamide
3ETHOXYN(4(3METHYL(124)TRIAZOLO(34B)(134)THIADIAZOL6YL)BENZYL)BENZAMIDE
CCOC1=CC=CC(=C1)C(=O)NCC2=CC=C(C=C2)C3=NN4C(=NN=C4S3)C
InChI=1SC20H19N5O2Sc13271764516(1117)18(26)2112147915(10814)19242513(2)222320(25)2819h411H312H212H3(H2126)
MFCD09964984
ZINC000012854483
ZINC12854483

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Available files

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