Vitas-M small molecule compound

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

Catalog ID
STK520236
SMILES CCCc1nnc2n1nc(s2)c1ccc(cc1)CNC(=O)c1ccc(cc1)CC

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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 C22H23N5OS MW 405.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5OS/c1-3-5-19-24-25-22-27(19)26-21(29-22)18-12-8-16(9-13-18)14-23-20(28)17-10-6-15(4-2)7-11-17/h6-13H,3-5,14H2,1-2H3,(H,23,28)
InChIKey
TTWFDIUKBISEHX-UHFFFAOYSA-N
Synonyms

4ethylN((4(3propyl(124)triazolo(34b)(134)thiadiazol6yl)phenyl)methyl)benzamide
4ethylN(4(3propyl(124)triazolo(34b)(134)thiadiazol6yl)benzyl)benzamide
CCCC1=NN=C2N1N=C(S2)C3=CC=C(C=C3)CNC(=O)C4=CC=C(C=C4)CC
InChI=1SC22H23N5OSc1351924252227(19)2621(2922)1812816(91318)142320(28)1710615(42)71117h613H3514H212H3(H2328)
MFCD11694248
ZINC000020096451
ZINC20096451

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Available files

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