Vitas-M small molecule compound
ethyl [5-bromo-4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenoxy]acetate
Catalog ID
STK673951
SMILES CCOC(=O)COc1cc(Br)c(cc1OC)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 C30H30BrNO5 MW 564.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30BrNO5/c1-5-36-26(34)16-37-25-13-21(31)19(12-24(25)35-4)29-28-20(14-30(2,3)15-23(28)33)27-18-9-7-6-8-17(18)10-11-22(27)32-29/h6-13,29,32H,5,14-16H2,1-4H3InChIKey
NKTKSWJTMQXXHW-UHFFFAOYSA-NSynonyms
CCOC(=O)COC1=C(C=C(C(=C1)Br)C2C3=C(CC(CC3=O)(C)C)C4=C(N2)C=CC5=CC=CC=C54)OC
ethyl(5bromo4(22dimethyl4oxo123456hexahydrobenzo(a)phenanthridin5yl)2methoxyphenoxy)acetate
ethyl2(5bromo4(22dimethyl4oxo1356tetrahydrobenzo(a)phenanthridin5yl)2methoxyphenoxy)acetate
InChI=1SC30H30BrNO5c153626(34)1637251321(31)19(1224(25)354)292820(1430(23)1523(28)33)2718976817(18)101122(27)3229h6132932H51416H214H3
MFCD01065954
ZINC000002188878
ZINC000002188879
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