Vitas-M small molecule compound

4-{[4-(methylsulfonyl)piperazin-1-yl]carbonyl}-2-(pyridin-2-ylmethyl)isoquinolin-1(2H)-one

Catalog ID
STL313402
SMILES O=C(c1cn(Cc2ccccn2)c(=O)c2c1cccc2)N1CCN(CC1)S(=O)(=O)C

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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 C21H22N4O4S MW 426.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4S/c1-30(28,29)25-12-10-23(11-13-25)21(27)19-15-24(14-16-6-4-5-9-22-16)20(26)18-8-3-2-7-17(18)19/h2-9,15H,10-14H2,1H3
InChIKey
WHAPTEXACBMIDP-UHFFFAOYSA-N
Synonyms
1401577-89-6
1401577896
4((4(methylsulfonyl)piperazin1yl)carbonyl)2(pyridin2ylmethyl)isoquinolin1(2H)one
4(4(methylsulfonyl)piperazine1carbonyl)2(pyridin2ylmethyl)isoquinolin1(2H)one
4(4methylsulfonylpiperazine1carbonyl)2(pyridin2ylmethyl)isoquinolin1one
CS(=O)(=O)N1CCN(CC1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)CC4=CC=CC=N4
InChI=1SC21H22N4O4Sc130(2829)25121023(111325)21(27)191524(141664592216)20(26)18832717(18)19h2915H1014H21H3
MFCD22584647
ZINC000079488560
ZINC79488560

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Available files

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