Vitas-M small molecule compound

8'-(azepan-1-ylmethyl)-6-chloro-7'-hydroxy-2H,2'H-3,4'-bichromene-2,2'-dione

Catalog ID
STK992079
SMILES Clc1ccc2c(c1)cc(c(=O)o2)c1cc(=O)oc2c1ccc(c2CN1CCCCCC1)O

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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 C25H22ClNO5 MW 451.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClNO5/c26-16-5-8-22-15(11-16)12-19(25(30)31-22)18-13-23(29)32-24-17(18)6-7-21(28)20(24)14-27-9-3-1-2-4-10-27/h5-8,11-13,28H,1-4,9-10,14H2
InChIKey
IXPSNRWNPVNYOW-UHFFFAOYSA-N
Synonyms
859667-08-6
3(8(AZAPERHYDROEPINYLMETHYL)7HYDROXY2OXOCHROMEN4YL)6CHLOROCHROMEN2ONE
8(azepan1ium1ylmethyl)4(6chloro2oxochromen3yl)2oxochromen7olate
8(AZEPAN1YLMETHYL)4(6CHLORO2OXOCHROMEN3YL)7HYDROXYCHROMEN2ONE
8(azepan1ylmethyl)6chloro7hydroxy2H2H(34bichromene)22dione
8(azepan1ylmethyl)6chloro7hydroxy2H2H34bichromene22dione
C1CCC(NH+)(CC1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=C(C=CC(=C5)Cl)OC4=O)(O)
InChI=1SC25H22ClNO5c2616582215(1116)1219(25(30)3122)181323(29)322417(18)6721(28)20(24)1427931241027h58111328H1491014H2
ZINC2135907

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Available files

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