Vitas-M small molecule compound
13-(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,13-hexahydro-1H-isoquino[2,1-a]quinolin-1-one
Catalog ID
STK593635
SMILES COc1cc2CCN3C(=CC(C4=C3CC(C)(C)CC4=O)c3cc(Br)c4c(c3)OCCO4)c2cc1OC
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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 C29H30BrNO5 MW 552.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30BrNO5/c1-29(2)14-22-27(23(32)15-29)19(17-9-20(30)28-26(11-17)35-7-8-36-28)12-21-18-13-25(34-4)24(33-3)10-16(18)5-6-31(21)22/h9-13,19H,5-8,14-15H2,1-4H3InChIKey
UKFSWOCLRDGDNR-UHFFFAOYSA-NSynonyms
879456-61-813(5bromo23dihydro14benzodioxin7yl)910dimethoxy33dimethyl46713tetrahydro2Hisoquinolino(21a)quinolin1one
13(8bromo23dihydro14benzodioxin6yl)910dimethoxy33dimethyl2346713hexahydro1Hisoquino(21a)quinolin1one
13(8bromo23dihydrobenzo(b)(14)dioxin6yl)910dimethoxy33dimethyl2346713hexahydro1Hisoquinolino(21a)quinolin1one
879456618
CC1(CC2=C(C(C=C3N2CCC4=CC(=C(C=C43)OC)OC)C5=CC6=C(C(=C5)Br)OCCO6)C(=O)C1)C
InChI=1SC29H30BrNO5c129(2)142227(23(32)1529)19(17920(30)2826(1117)35783628)1221181325(344)24(333)1016(18)5631(21)22h91319H581415H214H3
MFCD07206694
ZINC000101372547
ZINC000101372552
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