Vitas-M small molecule compound
5-(6-bromo-1,3-benzodioxol-5-yl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Catalog ID
STK756590
SMILES O=C1CC(C)(C)CC2=C1C(Nc1c2c2ccccc2cc1)c1cc2OCOc2cc1Br
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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 C26H22BrNO3 MW 476.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22BrNO3/c1-26(2)11-17-23-15-6-4-3-5-14(15)7-8-19(23)28-25(24(17)20(29)12-26)16-9-21-22(10-18(16)27)31-13-30-21/h3-10,25,28H,11-13H2,1-2H3InChIKey
AKXGYSBGECMNGJ-UHFFFAOYSA-NSynonyms
5(6bromo13benzodioxol5yl)22dimethyl1356tetrahydrobenzo(a)phenanthridin4one
5(6bromo13benzodioxol5yl)22dimethyl2356tetrahydrobenzo(a)phenanthridin4(1H)one
CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC6=C(C=C5Br)OCO6)C(=O)C1)C
InChI=1SC26H22BrNO3c126(2)11172315643514(15)7819(23)2825(24(17)20(29)1226)1692122(1018(16)27)31133021h3102528H1113H212H3
MFCD00607050
ZINC000002067820
ZINC000002067821
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