Vitas-M small molecule compound

8-(azepan-1-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4H-chromen-4-one

Catalog ID
STK923050
SMILES Oc1ccc2c(c1CN1CCCCCC1)occ(c2=O)c1ccc2c(c1)OCCO2

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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 C24H25NO5 MW 407.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25NO5/c26-20-7-6-17-23(27)19(16-5-8-21-22(13-16)29-12-11-28-21)15-30-24(17)18(20)14-25-9-3-1-2-4-10-25/h5-8,13,15,26H,1-4,9-12,14H2
InChIKey
KJPOYNHCKIWCPL-UHFFFAOYSA-N
Synonyms
637751-81-6
637751816
8(1AZEPANYLMETHYL)3(23DIHYDRO14BENZODIOXIN6YL)7HYDROXY4HCHROMEN4ONE
8(AZEPAN1IUM1YLMETHYL)3(23DIHYDRO14BENZODIOXIN6YL)4OXOCHROMEN7OLATE
8(azepan1ylmethyl)3(23dihydro14benzodioxin6yl)7hydroxy4Hchromen4one
8(AZEPAN1YLMETHYL)3(23DIHYDRO14BENZODIOXIN6YL)7HYDROXYCHROMEN4ONE
8(AZEPAN1YLMETHYL)3(23DIHYDROBENZO(B)(14)DIOXIN6YL)7HYDROXY4HCHROMEN4ONE
C1CCC(NH+)(CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC5=C(C=C4)OCCO5)(O)
InChI=1SC24H25NO5c2620761723(27)19(16582122(1316)2912112821)153024(17)18(20)1425931241025h58131526H1491214H2
MFCD04148211
ZINC000019938605
ZINC19938605

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Available files

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