Vitas-M small molecule compound

1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide

Catalog ID
STK643192
SMILES COc1cc(NC(=O)C2CCN(CC2)c2ccc3n(n2)c(C)nn3)cc(c1OC)OC

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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 C21H26N6O4 MW 426.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N6O4/c1-13-23-24-18-5-6-19(25-27(13)18)26-9-7-14(8-10-26)21(28)22-15-11-16(29-2)20(31-4)17(12-15)30-3/h5-6,11-12,14H,7-10H2,1-4H3,(H,22,28)
InChIKey
GROJJDLMUOFPJW-UHFFFAOYSA-N
Synonyms
1081128-78-0
1(3methyl(124)triazolo(43b)pyridazin6yl)N(345trimethoxyphenyl)piperidine4carboxamide
1081128780
CC1=NN=C2N1N=C(C=C2)N3CCC(CC3)C(=O)NC4=CC(=C(C(=C4)OC)OC)OC
InChI=1SC21H26N6O4c1132324185619(2527(13)18)269714(81026)21(28)22151116(292)20(314)17(1215)303h56111214H710H214H3(H2228)
MFCD12207815
ZINC000020729782
ZINC20729782

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Available files

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