Vitas-M small molecule compound

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

Catalog ID
STK498906
SMILES CCCc1nnc2n1nc(s2)c1ccc(cc1)CNC(=O)c1ccccc1C

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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 C21H21N5OS MW 391.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5OS/c1-3-6-18-23-24-21-26(18)25-20(28-21)16-11-9-15(10-12-16)13-22-19(27)17-8-5-4-7-14(17)2/h4-5,7-12H,3,6,13H2,1-2H3,(H,22,27)
InChIKey
SYBOZDRARNTSIT-UHFFFAOYSA-N
Synonyms

2methylN((4(3propyl(124)triazolo(34b)(134)thiadiazol6yl)phenyl)methyl)benzamide
2methylN(4(3propyl(124)triazolo(34b)(134)thiadiazol6yl)benzyl)benzamide
CCCC1=NN=C2N1N=C(S2)C3=CC=C(C=C3)CNC(=O)C4=CC=CC=C4C
InChI=1SC21H21N5OSc1361823242126(18)2520(2821)1611915(101216)132219(27)17854714(17)2h45712H3613H212H3(H2227)
MFCD11855552
ZINC000030822843
ZINC30822843

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Available files

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