Vitas-M small molecule compound

{5-[(3-chlorobenzyl)amino]-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl}(4-methylphenyl)methanone

Catalog ID
STK222326
SMILES Cc1ccc(cc1)C(=O)n1nc(nc1NCc1cccc(c1)Cl)c1cccnc1

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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 C22H18ClN5O MW 403.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClN5O/c1-15-7-9-17(10-8-15)21(29)28-22(25-13-16-4-2-6-19(23)12-16)26-20(27-28)18-5-3-11-24-14-18/h2-12,14H,13H2,1H3,(H,25,26,27)
InChIKey
LYZCVPQVGPEGAN-UHFFFAOYSA-N
Synonyms

(5((3CHLOROBENZYL)AMINO)3(PYRIDIN3YL)1H124TRIAZOL1YL)(4METHYLPHENYL)METHANONE
(5((3CHLOROPHENYL)METHYLAMINO)3PYRIDIN3YL124TRIAZOL1YL)(4METHYLPHENYL)METHANONE
CC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC(=CC=C4)Cl
InChI=1SC22H18ClN5Oc1157917(10815)21(29)2822(25131642619(23)1216)2620(2728)185311241418h21214H13H21H3(H252627)
MFCD08671686
ZINC000004816440
ZINC04816440
ZINC4816440

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Available files

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