Vitas-M small molecule compound

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

Catalog ID
STK700748
SMILES COc1cc(cc(c1O)Br)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 C26H24BrNO3 MW 478.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24BrNO3/c1-26(2)12-17-22-16-7-5-4-6-14(16)8-9-19(22)28-24(23(17)20(29)13-26)15-10-18(27)25(30)21(11-15)31-3/h4-11,24,28,30H,12-13H2,1-3H3
InChIKey
IAGJIEMAHFCLSV-UHFFFAOYSA-N
Synonyms
296791-76-9
2bromo4(22dimethyl4oxo1356tetrahydrobenzo(a)phenanthridin6ium5yl)6methoxyphenolate
5(3bromo4hydroxy5methoxyphenyl)22dimethyl2356tetrahydrobenzo(a)phenanthridin4(1H)one
CC1(CC2=C(C((NH2+)C3=C2C4=CC=CC=C4C=C3)C5=CC(=C(C(=C5)Br)(O))OC)C(=O)C1)C
InChI=1SC26H24BrNO3c126(2)12172216754614(16)8919(22)2824(23(17)20(29)1326)151018(27)25(30)21(1115)313h411242830H1213H213H3
MFCD00809825
ZINC000000828725
ZINC000000828726

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Available files

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