Vitas-M small molecule compound

4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl acetate

Catalog ID
STK753949
SMILES COc1cc(ccc1OC(=O)C)C1Nc2ccc3c(c2C2=C1C(=O)CC(C2)(C)C)cccc3

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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 C28H27NO4 MW 441.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO4/c1-16(30)33-23-12-10-18(13-24(23)32-4)27-26-20(14-28(2,3)15-22(26)31)25-19-8-6-5-7-17(19)9-11-21(25)29-27/h5-13,27,29H,14-15H2,1-4H3
InChIKey
CXBANNODYSUWHE-UHFFFAOYSA-N
Synonyms

(4(22dimethyl4oxo1356tetrahydrobenzo(a)phenanthridin5yl)2methoxyphenyl)acetate
4(22dimethyl4oxo123456hexahydrobenzo(a)phenanthridin5yl)2methoxyphenylacetate
CC(=O)OC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)C4=C(N2)C=CC5=CC=CC=C54)OC
InChI=1SC28H27NO4c116(30)3323121018(1324(23)324)272620(1428(23)1522(26)31)2519865717(19)91121(25)2927h5132729H1415H214H3
MFCD00500214
ZINC000000712725
ZINC000000712726

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Available files

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