Vitas-M small molecule compound

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

Catalog ID
STK227613
SMILES Clc1cccc(c1)CNc1nc(nn1C(=O)C1CC1)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 C18H16ClN5O MW 353.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN5O/c19-15-5-1-3-12(9-15)10-21-18-22-16(14-4-2-8-20-11-14)23-24(18)17(25)13-6-7-13/h1-5,8-9,11,13H,6-7,10H2,(H,21,22,23)
InChIKey
KTAUUWCKUGJVHZ-UHFFFAOYSA-N
Synonyms

(5((3CHLOROBENZYL)AMINO)3(PYRIDIN3YL)1H124TRIAZOL1YL)(CYCLOPROPYL)METHANONE
(5((3CHLOROPHENYL)METHYLAMINO)3PYRIDIN3YL124TRIAZOL1YL)CYCLOPROPYLMETHANONE
C1CC1C(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC(=CC=C4)Cl
InChI=1SC18H16ClN5Oc191551312(915)1021182216(14428201114)2324(18)17(25)136713h15891113H6710H2(H212223)
MFCD07792114
ZINC000004732431
ZINC04732431
ZINC4732431

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Available files

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