Vitas-M small molecule compound

5-(2,5-dimethoxyphenyl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one

Catalog ID
STK795167
SMILES COc1ccc(c(c1)C1Nc2ccc3c(c2C2=C1C(=O)CC(C2)(C)C)cccc3)OC

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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 C27H27NO3 MW 413.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO3/c1-27(2)14-20-24-18-8-6-5-7-16(18)9-11-21(24)28-26(25(20)22(29)15-27)19-13-17(30-3)10-12-23(19)31-4/h5-13,26,28H,14-15H2,1-4H3
InChIKey
DSIBDZIFVPZXSW-UHFFFAOYSA-N
Synonyms

5(25dimethoxyphenyl)22dimethyl1356tetrahydrobenzo(a)phenanthridin4one
5(25dimethoxyphenyl)22dimethyl2356tetrahydrobenzo(a)phenanthridin4(1H)one
CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=C(C=CC(=C5)OC)OC)C(=O)C1)C
InChI=1SC27H27NO3c127(2)14202418865716(18)91121(24)2826(25(20)22(29)1527)191317(303)101223(19)314h5132628H1415H214H3
MFCD01030331
ZINC000000727626
ZINC000000727627

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Available files

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