Vitas-M small molecule compound
13-(4-bromophenyl)-9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,13-hexahydro-1H-isoquino[2,1-a]quinolin-1-one
Catalog ID
STK594849
SMILES COc1cc2c(cc1OC)CCN1C2=CC(c2ccc(cc2)Br)C2=C1CC(CC2=O)(C)C
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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 C27H28BrNO3 MW 494.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28BrNO3/c1-27(2)14-22-26(23(30)15-27)20(16-5-7-18(28)8-6-16)12-21-19-13-25(32-4)24(31-3)11-17(19)9-10-29(21)22/h5-8,11-13,20H,9-10,14-15H2,1-4H3InChIKey
KONZPADOOXXHMO-UHFFFAOYSA-NSynonyms
898925-62-713(4bromophenyl)910dimethoxy33dimethyl2346713hexahydro1Hisoquino(21a)quinolin1one
13(4bromophenyl)910dimethoxy33dimethyl2346713hexahydro1Hisoquinolino(21a)quinolin1one
13(4bromophenyl)910dimethoxy33dimethyl46713tetrahydro2Hisoquinolino(21a)quinolin1one
898925627
CC1(CC2=C(C(C=C3N2CCC4=CC(=C(C=C43)OC)OC)C5=CC=C(C=C5)Br)C(=O)C1)C
InChI=1SC27H28BrNO3c127(2)142226(23(30)1527)20(165718(28)8616)1221191325(324)24(313)1117(19)91029(21)22h58111320H9101415H214H3
MFCD07638870
ZINC000013577100
ZINC000013577104
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