Vitas-M small molecule compound

6-(azepan-1-ylmethyl)-3-hydroxy-2-{[4-(pyrazin-2-yl)piperazin-1-yl]methyl}-4H-pyran-4-one

Catalog ID
STL491737
SMILES Oc1c(=O)cc(oc1CN1CCN(CC1)c1nccnc1)CN1CCCCCC1

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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 C21H29N5O3 MW 399.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N5O3/c27-18-13-17(15-24-7-3-1-2-4-8-24)29-19(21(18)28)16-25-9-11-26(12-10-25)20-14-22-5-6-23-20/h5-6,13-14,28H,1-4,7-12,15-16H2
InChIKey
AMOXWDFJDNBYTM-UHFFFAOYSA-N
Synonyms

6(azepan1ylmethyl)3hydroxy2((4(pyrazin2yl)piperazin1yl)methyl)4Hpyran4one
6(azepan1ylmethyl)3hydroxy2((4pyrazin2ylpiperazin1yl)methyl)pyran4one
C1CCCN(CC1)CC2=CC(=O)C(=C(O2)CN3CCN(CC3)C4=NC=CN=C4)O
InChI=1SC21H29N5O3c27181317(152473124824)2919(21(18)28)162591126(121025)201422562320h56131428H147121516H2
MFCD29058057
ZINC000253395605

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Available files

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